(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)methanol

C13H18O2 — CID 84674437

IUPAC(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)methanol
SMILESCOc1ccc2c(c1CO)CCCCC2
InChIInChI=1S/C13H18O2/c1-15-13-8-7-10-5-3-2-4-6-11(10)12(13)9-14/h7-8,14H,2-6,9H2,1H3
InChIKeyITUYASDDAVEUNU-UHFFFAOYSA-N
MW206.28 g/mol
LogP2.46
Rot. Bonds2

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

(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)methanol (PubChem CID 84674437) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is (3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)methanol.

Molecular Properties

Compound Name(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)methanol
PubChem CID84674437
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)methanol
SMILESCOc1ccc2c(c1CO)CCCCC2
InChIInChI=1S/C13H18O2/c1-15-13-8-7-10-5-3-2-4-6-11(10)12(13)9-14/h7-8,14H,2-6,9H2,1H3
InChIKeyITUYASDDAVEUNU-UHFFFAOYSA-N
XLogP2.46
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)methyl]cyclopropan-1-ol
CID 117368497
(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)methanesulfonyl chloride
CID 117466523
3-(2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-2-methylpropanoic acid
CID 117373999
N-methoxy-1-(5-methoxy-2,3-dihydro-1H-inden-4-yl)methanamine
CID 117296336
4-methoxy-5,6,7,8,9,10-hexahydrobenzo[8]annulene
CID 153201426
2-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)ethanol
CID 117295060
4-(2-hydroxyethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol
CID 117295070
1-(2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)cyclopentane-1-carboxylic acid
CID 117438536
2-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol
CID 117314688
(2,3-dibromo-6-methoxyphenyl)methanol
CID 171002454
4-bromo-2-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol
CID 84712949
1-(5-methoxy-2,3-dihydro-1H-inden-4-yl)cyclohexane-1-carboxylic acid
CID 117438562

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)methanol?
The IUPAC name of (3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)methanol (CID 84674437) is (3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)methanol.
What is the SMILES notation for (3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)methanol?
The canonical SMILES for (3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)methanol is COc1ccc2c(c1CO)CCCCC2.
What is the InChIKey of (3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)methanol?
The InChIKey is ITUYASDDAVEUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-15-13-8-7-10-5-3-2-4-6-11(10)12(13)9-14/h7-8,14H,2-6,9H2,1H3.
What are the key properties of (3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)methanol?
(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)methanol has a molecular weight of 206.28 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)methanol is sourced from PubChem (CID 84674437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).