(4-hydroxyphenyl)-(6-hydroxy-1-propan-2-ylnaphthalen-2-yl)methanone

C20H18O3 — CID 18690197

IUPAC(4-hydroxyphenyl)-(6-hydroxy-1-propan-2-ylnaphthalen-2-yl)methanone
SMILESCC(C)c1c(C(=O)c2ccc(O)cc2)ccc2cc(O)ccc12
InChIInChI=1S/C20H18O3/c1-12(2)19-17-10-8-16(22)11-14(17)5-9-18(19)20(23)13-3-6-15(21)7-4-13/h3-12,21-22H,1-2H3
InChIKeyJERJVPNMQREEGR-UHFFFAOYSA-N
MW306.36 g/mol
LogP4.61
Rot. Bonds3

About (4-hydroxyphenyl)-(6-hydroxy-1-propan-2-ylnaphthalen-2-yl)methanone

(4-hydroxyphenyl)-(6-hydroxy-1-propan-2-ylnaphthalen-2-yl)methanone (PubChem CID 18690197) has the molecular formula C20H18O3 and a molecular weight of 306.36 g/mol. Its IUPAC name is (4-hydroxyphenyl)-(6-hydroxy-1-propan-2-ylnaphthalen-2-yl)methanone.

Molecular Properties

Compound Name(4-hydroxyphenyl)-(6-hydroxy-1-propan-2-ylnaphthalen-2-yl)methanone
PubChem CID18690197
Molecular FormulaC20H18O3
Molecular Weight306.36 g/mol
Exact Mass306.13
IUPAC Name(4-hydroxyphenyl)-(6-hydroxy-1-propan-2-ylnaphthalen-2-yl)methanone
SMILESCC(C)c1c(C(=O)c2ccc(O)cc2)ccc2cc(O)ccc12
InChIInChI=1S/C20H18O3/c1-12(2)19-17-10-8-16(22)11-14(17)5-9-18(19)20(23)13-3-6-15(21)7-4-13/h3-12,21-22H,1-2H3
InChIKeyJERJVPNMQREEGR-UHFFFAOYSA-N
XLogP4.61
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[6-hydroxy-2-(4-hydroxyphenyl)naphthalen-1-yl]-[4-tri(propan-2-yl)silyloxyphenyl]methanone
CID 18676038
5-propan-2-ylnaphthalen-2-ol
CID 19011144
1,2-bis(4-hydroxy-2-propan-2-ylphenyl)ethane-1,2-dione
CID 21279175
6-hydroxy-4-propan-2-ylquinoline-3-carboxylic acid
CID 105489171
6-hydroxy-8-propan-2-ylnaphthalene-2-carboxylic acid
CID 156581500
1-amino-6-hydroxynaphthalene-2-carboxylic acid
CID 115022788
3,7-dihydroxynaphthalene-1-carboxylic acid
CID 23130130
(2,4-dichlorophenyl)-(4-hydroxyphenyl)methanone
CID 13453357
7-amino-8-propan-2-ylnaphthalen-2-ol
CID 115057677
7-hydroxy-4-propan-2-ylquinoline-3-carbonitrile
CID 136866641
3-bromo-4-propan-2-ylquinolin-7-ol
CID 136900866
[4-hydroxy-2-(oxiran-2-yl)phenyl]-(4-hydroxyphenyl)methanone
CID 57224142

Frequently Asked Questions

What is the IUPAC name of (4-hydroxyphenyl)-(6-hydroxy-1-propan-2-ylnaphthalen-2-yl)methanone?
The IUPAC name of (4-hydroxyphenyl)-(6-hydroxy-1-propan-2-ylnaphthalen-2-yl)methanone (CID 18690197) is (4-hydroxyphenyl)-(6-hydroxy-1-propan-2-ylnaphthalen-2-yl)methanone.
What is the SMILES notation for (4-hydroxyphenyl)-(6-hydroxy-1-propan-2-ylnaphthalen-2-yl)methanone?
The canonical SMILES for (4-hydroxyphenyl)-(6-hydroxy-1-propan-2-ylnaphthalen-2-yl)methanone is CC(C)c1c(C(=O)c2ccc(O)cc2)ccc2cc(O)ccc12.
What is the InChIKey of (4-hydroxyphenyl)-(6-hydroxy-1-propan-2-ylnaphthalen-2-yl)methanone?
The InChIKey is JERJVPNMQREEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O3/c1-12(2)19-17-10-8-16(22)11-14(17)5-9-18(19)20(23)13-3-6-15(21)7-4-13/h3-12,21-22H,1-2H3.
What are the key properties of (4-hydroxyphenyl)-(6-hydroxy-1-propan-2-ylnaphthalen-2-yl)methanone?
(4-hydroxyphenyl)-(6-hydroxy-1-propan-2-ylnaphthalen-2-yl)methanone has a molecular weight of 306.36 g/mol, XLogP of 4.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxyphenyl)-(6-hydroxy-1-propan-2-ylnaphthalen-2-yl)methanone is sourced from PubChem (CID 18690197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).