5-(3-methoxyphenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol

C18H20O2 — CID 60795066

IUPAC5-(3-methoxyphenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
SMILESCOc1cccc(C2(O)CCCCc3ccccc32)c1
InChIInChI=1S/C18H20O2/c1-20-16-10-6-9-15(13-16)18(19)12-5-4-8-14-7-2-3-11-17(14)18/h2-3,6-7,9-11,13,19H,4-5,8,12H2,1H3
InChIKeyBIWYADDPBBEXIW-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.66
Rot. Bonds2

About 5-(3-methoxyphenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol

5-(3-methoxyphenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol (PubChem CID 60795066) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol.

Molecular Properties

Compound Name5-(3-methoxyphenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
PubChem CID60795066
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name5-(3-methoxyphenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
SMILESCOc1cccc(C2(O)CCCCc3ccccc32)c1
InChIInChI=1S/C18H20O2/c1-20-16-10-6-9-15(13-16)18(19)12-5-4-8-14-7-2-3-11-17(14)18/h2-3,6-7,9-11,13,19H,4-5,8,12H2,1H3
InChIKeyBIWYADDPBBEXIW-UHFFFAOYSA-N
XLogP3.66
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-methoxy-1-(3-methoxyphenyl)-2,3-dihydroinden-1-ol
CID 79374921
1-(3-methoxyphenyl)-2,3-dihydroinden-1-amine
CID 54919051
5-(3,4-difluorophenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 62800863
1-(3-hydroxyphenyl)-2,3-dihydroinden-1-ol
CID 57292646
5-(4-chlorophenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 60865693
5-(4-propylphenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 63406667
2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)-3,4-dihydro-2H-naphthalen-1-ol;hydrochloride
CID 11725292
5-methyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 15751789
2-(3-methoxyphenyl)-2-methylcyclohexan-1-one
CID 20571960
6-methoxy-1-pyridin-4-yl-3,4-dihydro-2H-naphthalen-1-ol
CID 22038174
N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-2-(3-methoxyphenyl)acetamide
CID 111110490
1-methoxy-3-[1,4,4-tris(3-methoxyphenyl)cyclohexyl]benzene
CID 23534042

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol?
The IUPAC name of 5-(3-methoxyphenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol (CID 60795066) is 5-(3-methoxyphenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol.
What is the SMILES notation for 5-(3-methoxyphenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol?
The canonical SMILES for 5-(3-methoxyphenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol is COc1cccc(C2(O)CCCCc3ccccc32)c1.
What is the InChIKey of 5-(3-methoxyphenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol?
The InChIKey is BIWYADDPBBEXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c1-20-16-10-6-9-15(13-16)18(19)12-5-4-8-14-7-2-3-11-17(14)18/h2-3,6-7,9-11,13,19H,4-5,8,12H2,1H3.
What are the key properties of 5-(3-methoxyphenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol?
5-(3-methoxyphenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol has a molecular weight of 268.36 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol is sourced from PubChem (CID 60795066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).