3-hydroxy-2-phenylmethoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one

C18H18O3 — CID 14676204

IUPAC3-hydroxy-2-phenylmethoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
SMILESO=C1CCCCc2cc(OCc3ccccc3)c(O)cc21
InChIInChI=1S/C18H18O3/c19-16-9-5-4-8-14-10-18(17(20)11-15(14)16)21-12-13-6-2-1-3-7-13/h1-3,6-7,10-11,20H,4-5,8-9,12H2
InChIKeyOVOIINXZVABDIK-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.88
Rot. Bonds3

About 3-hydroxy-2-phenylmethoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one

3-hydroxy-2-phenylmethoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one (PubChem CID 14676204) has the molecular formula C18H18O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 3-hydroxy-2-phenylmethoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one.

Molecular Properties

Compound Name3-hydroxy-2-phenylmethoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
PubChem CID14676204
Molecular FormulaC18H18O3
Molecular Weight282.34 g/mol
Exact Mass282.13
IUPAC Name3-hydroxy-2-phenylmethoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
SMILESO=C1CCCCc2cc(OCc3ccccc3)c(O)cc21
InChIInChI=1S/C18H18O3/c19-16-9-5-4-8-14-10-18(17(20)11-15(14)16)21-12-13-6-2-1-3-7-13/h1-3,6-7,10-11,20H,4-5,8-9,12H2
InChIKeyOVOIINXZVABDIK-UHFFFAOYSA-N
XLogP3.88
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-bis(phenylmethoxy)-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
CID 165350338
3-methoxy-2-phenylmethoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
CID 14676205
6-phenylmethoxy-2,3-dihydro-1H-inden-5-ol
CID 13059019
6-hydroxy-3,4-dihydro-2H-naphthalen-1-one;6-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one
CID 139435678
6-(4-phenylmethoxyphenoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 101422030
5-oxo-2,3-bis(phenylmethoxy)-6,7,8,9-tetrahydrobenzo[7]annulene-6-carboxylic acid
CID 19841246
(7-hydroxy-6-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)-(2-methoxyphenyl)methanone
CID 11025506
methyl 3-phenylmethoxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 13318628
4-[(6-phenyl-2,3-dihydro-1H-inden-5-yl)oxymethyl]benzoic acid
CID 155520617
3-[[3-oxo-6-(2-phenylethoxy)-1,2-dihydroinden-5-yl]oxymethyl]benzoic acid
CID 11718321
5-oxo-2-phenylmethoxy-7,8-dihydro-6H-naphthalene-1-carboxamide
CID 13067348
5-(aminomethyl)-2,3-bis(phenylmethoxy)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 10341137

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-phenylmethoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one?
The IUPAC name of 3-hydroxy-2-phenylmethoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one (CID 14676204) is 3-hydroxy-2-phenylmethoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one.
What is the SMILES notation for 3-hydroxy-2-phenylmethoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one?
The canonical SMILES for 3-hydroxy-2-phenylmethoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one is O=C1CCCCc2cc(OCc3ccccc3)c(O)cc21.
What is the InChIKey of 3-hydroxy-2-phenylmethoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one?
The InChIKey is OVOIINXZVABDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O3/c19-16-9-5-4-8-14-10-18(17(20)11-15(14)16)21-12-13-6-2-1-3-7-13/h1-3,6-7,10-11,20H,4-5,8-9,12H2.
What are the key properties of 3-hydroxy-2-phenylmethoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one?
3-hydroxy-2-phenylmethoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one has a molecular weight of 282.34 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-phenylmethoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one is sourced from PubChem (CID 14676204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).