1-[(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)methyl]cyclopropan-1-ol

C16H22O2 — CID 117368497

IUPAC1-[(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)methyl]cyclopropan-1-ol
SMILESCOc1ccc2c(c1CC1(O)CC1)CCCCC2
InChIInChI=1S/C16H22O2/c1-18-15-8-7-12-5-3-2-4-6-13(12)14(15)11-16(17)9-10-16/h7-8,17H,2-6,9-11H2,1H3
InChIKeyVPJORZGCNRAQEG-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.03
Rot. Bonds3

About 1-[(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)methyl]cyclopropan-1-ol

1-[(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)methyl]cyclopropan-1-ol (PubChem CID 117368497) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-[(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)methyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)methyl]cyclopropan-1-ol
PubChem CID117368497
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name1-[(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)methyl]cyclopropan-1-ol
SMILESCOc1ccc2c(c1CC1(O)CC1)CCCCC2
InChIInChI=1S/C16H22O2/c1-18-15-8-7-12-5-3-2-4-6-13(12)14(15)11-16(17)9-10-16/h7-8,17H,2-6,9-11H2,1H3
InChIKeyVPJORZGCNRAQEG-UHFFFAOYSA-N
XLogP3.03
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)methyl]cyclopropan-1-ol with MolForge

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Related Compounds

(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)methanol
CID 84674437
(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)methanesulfonyl chloride
CID 117466523
1-[(2-chloro-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)methyl]cyclopropan-1-ol
CID 117450858
1-[(2-bromo-3,6-dimethoxyphenyl)methyl]cyclopropan-1-ol
CID 117462925
3-(2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-2-methylpropanoic acid
CID 117373999
1-[(3-chloro-2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]cyclopropan-1-ol
CID 117420830
1-[[3,6-dimethoxy-2-(methoxymethyl)phenyl]methyl]cyclopropan-1-ol
CID 117384074
N-methoxy-1-(5-methoxy-2,3-dihydro-1H-inden-4-yl)methanamine
CID 117296336
1-(2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)cyclopentane-1-carboxylic acid
CID 117438536
1-(5-methoxy-2,3-dihydro-1H-inden-4-yl)cyclohexane-1-carboxylic acid
CID 117438562
1-(5,6,7,8-tetrahydronaphthalen-1-ylmethyl)cyclopropan-1-ol
CID 117291079
3-bromo-2-[(1-hydroxycyclopropyl)methyl]-6-methoxyphenol
CID 117434988

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)methyl]cyclopropan-1-ol?
The IUPAC name of 1-[(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)methyl]cyclopropan-1-ol (CID 117368497) is 1-[(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)methyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)methyl]cyclopropan-1-ol?
The canonical SMILES for 1-[(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)methyl]cyclopropan-1-ol is COc1ccc2c(c1CC1(O)CC1)CCCCC2.
What is the InChIKey of 1-[(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)methyl]cyclopropan-1-ol?
The InChIKey is VPJORZGCNRAQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2/c1-18-15-8-7-12-5-3-2-4-6-13(12)14(15)11-16(17)9-10-16/h7-8,17H,2-6,9-11H2,1H3.
What are the key properties of 1-[(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)methyl]cyclopropan-1-ol?
1-[(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)methyl]cyclopropan-1-ol has a molecular weight of 246.35 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)methyl]cyclopropan-1-ol is sourced from PubChem (CID 117368497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).