2-cyclopropyl-6-methoxytricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ol

C19H20O2 — CID 19261422

IUPAC2-cyclopropyl-6-methoxytricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ol
SMILESCOc1ccc2c(c1)CCc1ccccc1C2(O)C1CC1
InChIInChI=1S/C19H20O2/c1-21-16-10-11-18-14(12-16)7-6-13-4-2-3-5-17(13)19(18,20)15-8-9-15/h2-5,10-12,15,20H,6-9H2,1H3
InChIKeyDCXWOHVRBQRJJH-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.44
Rot. Bonds2

About 2-cyclopropyl-6-methoxytricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ol

2-cyclopropyl-6-methoxytricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ol (PubChem CID 19261422) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-cyclopropyl-6-methoxytricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ol.

Molecular Properties

Compound Name2-cyclopropyl-6-methoxytricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ol
PubChem CID19261422
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Name2-cyclopropyl-6-methoxytricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ol
SMILESCOc1ccc2c(c1)CCc1ccccc1C2(O)C1CC1
InChIInChI=1S/C19H20O2/c1-21-16-10-11-18-14(12-16)7-6-13-4-2-3-5-17(13)19(18,20)15-8-9-15/h2-5,10-12,15,20H,6-9H2,1H3
InChIKeyDCXWOHVRBQRJJH-UHFFFAOYSA-N
XLogP3.44
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-cyclopropyl-6-methoxytricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ol with MolForge

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Related Compounds

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CID 79374780
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CID 11725292
1-(4-ethylcyclohexyl)-6-methoxy-2,3-dihydroinden-1-ol
CID 79374140
6-methoxy-3,3-dimethyl-1,2-dihydroindene
CID 22152285
(3aS,9bR)-9b-hydroxy-3,3a,4,5-tetrahydro-2H-cyclopenta[a]naphthalen-1-one
CID 102092616
1-(4-methoxy-2-methylphenyl)-3,4-dihydro-2H-naphthalen-1-amine
CID 65313131
7-methoxy-2-(oxan-4-yl)-3,4-dihydro-1H-naphthalen-2-ol
CID 115511003
13-chloro-6-methoxy-2-(1-methylpiperidin-4-yl)-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ol
CID 18382722
3-fluoro-6-methoxy-3-methyl-1,2-dihydroindene
CID 84718386
5-(3-methoxyphenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 60795066
1-(2,5-dimethoxyphenyl)-3,4-dihydro-2H-naphthalen-1-amine
CID 62800508
9-ethyl-14-methoxytricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-9-ol
CID 59941548

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-methoxytricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ol?
The IUPAC name of 2-cyclopropyl-6-methoxytricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ol (CID 19261422) is 2-cyclopropyl-6-methoxytricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ol.
What is the SMILES notation for 2-cyclopropyl-6-methoxytricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ol?
The canonical SMILES for 2-cyclopropyl-6-methoxytricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ol is COc1ccc2c(c1)CCc1ccccc1C2(O)C1CC1.
What is the InChIKey of 2-cyclopropyl-6-methoxytricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ol?
The InChIKey is DCXWOHVRBQRJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O2/c1-21-16-10-11-18-14(12-16)7-6-13-4-2-3-5-17(13)19(18,20)15-8-9-15/h2-5,10-12,15,20H,6-9H2,1H3.
What are the key properties of 2-cyclopropyl-6-methoxytricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ol?
2-cyclopropyl-6-methoxytricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ol has a molecular weight of 280.37 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-methoxytricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ol is sourced from PubChem (CID 19261422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).