[(1R,15R)-7-methoxy-3-oxa-13-azapentacyclo[13.2.1.02,10.04,9.013,17]octadeca-2(10),4(9),5,7-tetraen-14-yl]methanol

C18H21NO3 — CID 176797433

IUPAC[(1R,15R)-7-methoxy-3-oxa-13-azapentacyclo[13.2.1.02,10.04,9.013,17]octadeca-2(10),4(9),5,7-tetraen-14-yl]methanol
SMILESCOc1ccc2oc3c(c2c1)CCN1C(CO)[C@H]2CC1[C@H]3C2
InChIInChI=1S/C18H21NO3/c1-21-11-2-3-17-13(8-11)12-4-5-19-15-7-10(16(19)9-20)6-14(15)18(12)22-17/h2-3,8,10,14-16,20H,4-7,9H2,1H3/t10-,14-,15?,16?/m1/s1
InChIKeySUWAXDWXEDRRGL-SFWZDCPZSA-N
MW299.37 g/mol
LogP2.54
Rot. Bonds2

About [(1R,15R)-7-methoxy-3-oxa-13-azapentacyclo[13.2.1.02,10.04,9.013,17]octadeca-2(10),4(9),5,7-tetraen-14-yl]methanol

[(1R,15R)-7-methoxy-3-oxa-13-azapentacyclo[13.2.1.02,10.04,9.013,17]octadeca-2(10),4(9),5,7-tetraen-14-yl]methanol (PubChem CID 176797433) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is [(1R,15R)-7-methoxy-3-oxa-13-azapentacyclo[13.2.1.02,10.04,9.013,17]octadeca-2(10),4(9),5,7-tetraen-14-yl]methanol.

Molecular Properties

Compound Name[(1R,15R)-7-methoxy-3-oxa-13-azapentacyclo[13.2.1.02,10.04,9.013,17]octadeca-2(10),4(9),5,7-tetraen-14-yl]methanol
PubChem CID176797433
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name[(1R,15R)-7-methoxy-3-oxa-13-azapentacyclo[13.2.1.02,10.04,9.013,17]octadeca-2(10),4(9),5,7-tetraen-14-yl]methanol
SMILESCOc1ccc2oc3c(c2c1)CCN1C(CO)[C@H]2CC1[C@H]3C2
InChIInChI=1S/C18H21NO3/c1-21-11-2-3-17-13(8-11)12-4-5-19-15-7-10(16(19)9-20)6-14(15)18(12)22-17/h2-3,8,10,14-16,20H,4-7,9H2,1H3/t10-,14-,15?,16?/m1/s1
InChIKeySUWAXDWXEDRRGL-SFWZDCPZSA-N
XLogP2.54
TPSA45.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(1R,15R)-7-methoxy-3-oxa-13-azapentacyclo[13.2.1.02,10.04,9.013,17]octadeca-2(10),4(9),5,7-tetraen-14-yl]methanol with MolForge

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Related Compounds

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CID 170229443
9-methoxy-2-methyl-2,3,4,4a,5,6,7,12b-octahydro-1H-[1]benzofuro[3,2-d][1]benzazepine
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9-methoxy-3,4-dimethyl-1,2,4,5-tetrahydro-[1]benzofuro[2,3-d]azepine
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8-methoxy-2-methyl-3,4,5,6-tetrahydro-[1]benzofuro[2,3-c]azocin-1-one
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7-methoxy-2-methyl-1,3,4,5-tetrahydro-[1]benzofuro[2,3-c]azepine
CID 164872530
(1R,15S)-17-propyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol
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(6R)-2-methoxy-6-methyl-10-methylidene-9-propan-2-ylidene-7,8-dihydro-6H-cyclohepta[b][1]benzofuran
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5-methoxy-3-(2-methylpropyl)-1-benzofuran-2-carboxylic acid
CID 113443722
1-(2-cyclopropyl-5-methoxy-1-benzofuran-3-yl)propan-2-amine
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5-methoxy-3-propyl-1-benzofuran-2-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of [(1R,15R)-7-methoxy-3-oxa-13-azapentacyclo[13.2.1.02,10.04,9.013,17]octadeca-2(10),4(9),5,7-tetraen-14-yl]methanol?
The IUPAC name of [(1R,15R)-7-methoxy-3-oxa-13-azapentacyclo[13.2.1.02,10.04,9.013,17]octadeca-2(10),4(9),5,7-tetraen-14-yl]methanol (CID 176797433) is [(1R,15R)-7-methoxy-3-oxa-13-azapentacyclo[13.2.1.02,10.04,9.013,17]octadeca-2(10),4(9),5,7-tetraen-14-yl]methanol.
What is the SMILES notation for [(1R,15R)-7-methoxy-3-oxa-13-azapentacyclo[13.2.1.02,10.04,9.013,17]octadeca-2(10),4(9),5,7-tetraen-14-yl]methanol?
The canonical SMILES for [(1R,15R)-7-methoxy-3-oxa-13-azapentacyclo[13.2.1.02,10.04,9.013,17]octadeca-2(10),4(9),5,7-tetraen-14-yl]methanol is COc1ccc2oc3c(c2c1)CCN1C(CO)[C@H]2CC1[C@H]3C2.
What is the InChIKey of [(1R,15R)-7-methoxy-3-oxa-13-azapentacyclo[13.2.1.02,10.04,9.013,17]octadeca-2(10),4(9),5,7-tetraen-14-yl]methanol?
The InChIKey is SUWAXDWXEDRRGL-SFWZDCPZSA-N. The full InChI is InChI=1S/C18H21NO3/c1-21-11-2-3-17-13(8-11)12-4-5-19-15-7-10(16(19)9-20)6-14(15)18(12)22-17/h2-3,8,10,14-16,20H,4-7,9H2,1H3/t10-,14-,15?,16?/m1/s1.
What are the key properties of [(1R,15R)-7-methoxy-3-oxa-13-azapentacyclo[13.2.1.02,10.04,9.013,17]octadeca-2(10),4(9),5,7-tetraen-14-yl]methanol?
[(1R,15R)-7-methoxy-3-oxa-13-azapentacyclo[13.2.1.02,10.04,9.013,17]octadeca-2(10),4(9),5,7-tetraen-14-yl]methanol has a molecular weight of 299.37 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,15R)-7-methoxy-3-oxa-13-azapentacyclo[13.2.1.02,10.04,9.013,17]octadeca-2(10),4(9),5,7-tetraen-14-yl]methanol is sourced from PubChem (CID 176797433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).