(2-hydroxy-4-methoxyphenyl)-phenylmethanone;(3,3,5-trimethylcyclohexyl) 2-hydroxybenzoate

C30H34O6 — CID 66873710

IUPAC(2-hydroxy-4-methoxyphenyl)-phenylmethanone;(3,3,5-trimethylcyclohexyl) 2-hydroxybenzoate
SMILESCC1CC(OC(=O)c2ccccc2O)CC(C)(C)C1.COc1ccc(C(=O)c2ccccc2)c(O)c1
InChIInChI=1S/C16H22O3.C14H12O3/c1-11-8-12(10-16(2,3)9-11)19-15(18)13-6-4-5-7-14(13)17;1-17-11-7-8-12(13(15)9-11)14(16)10-5-3-2-4-6-10/h4-7,11-12,17H,8-10H2,1-3H3;2-9,15H,1H3
InChIKeyUYRVYGSLJMKKKO-UHFFFAOYSA-N
MW490.60 g/mol
LogP6.40
Rot. Bonds5

About (2-hydroxy-4-methoxyphenyl)-phenylmethanone;(3,3,5-trimethylcyclohexyl) 2-hydroxybenzoate

(2-hydroxy-4-methoxyphenyl)-phenylmethanone;(3,3,5-trimethylcyclohexyl) 2-hydroxybenzoate (PubChem CID 66873710) has the molecular formula C30H34O6 and a molecular weight of 490.60 g/mol. Its IUPAC name is (2-hydroxy-4-methoxyphenyl)-phenylmethanone;(3,3,5-trimethylcyclohexyl) 2-hydroxybenzoate.

Molecular Properties

Compound Name(2-hydroxy-4-methoxyphenyl)-phenylmethanone;(3,3,5-trimethylcyclohexyl) 2-hydroxybenzoate
PubChem CID66873710
Molecular FormulaC30H34O6
Molecular Weight490.60 g/mol
Exact Mass490.24
IUPAC Name(2-hydroxy-4-methoxyphenyl)-phenylmethanone;(3,3,5-trimethylcyclohexyl) 2-hydroxybenzoate
SMILESCC1CC(OC(=O)c2ccccc2O)CC(C)(C)C1.COc1ccc(C(=O)c2ccccc2)c(O)c1
InChIInChI=1S/C16H22O3.C14H12O3/c1-11-8-12(10-16(2,3)9-11)19-15(18)13-6-4-5-7-14(13)17;1-17-11-7-8-12(13(15)9-11)14(16)10-5-3-2-4-6-10/h4-7,11-12,17H,8-10H2,1-3H3;2-9,15H,1H3
InChIKeyUYRVYGSLJMKKKO-UHFFFAOYSA-N
XLogP6.40
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.60
LogP ≤ 56.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-4-methoxyphenyl)-phenylmethanone;(3,3,5-trimethylcyclohexyl) 2-hydroxybenzoate?
The IUPAC name of (2-hydroxy-4-methoxyphenyl)-phenylmethanone;(3,3,5-trimethylcyclohexyl) 2-hydroxybenzoate (CID 66873710) is (2-hydroxy-4-methoxyphenyl)-phenylmethanone;(3,3,5-trimethylcyclohexyl) 2-hydroxybenzoate.
What is the SMILES notation for (2-hydroxy-4-methoxyphenyl)-phenylmethanone;(3,3,5-trimethylcyclohexyl) 2-hydroxybenzoate?
The canonical SMILES for (2-hydroxy-4-methoxyphenyl)-phenylmethanone;(3,3,5-trimethylcyclohexyl) 2-hydroxybenzoate is CC1CC(OC(=O)c2ccccc2O)CC(C)(C)C1.COc1ccc(C(=O)c2ccccc2)c(O)c1.
What is the InChIKey of (2-hydroxy-4-methoxyphenyl)-phenylmethanone;(3,3,5-trimethylcyclohexyl) 2-hydroxybenzoate?
The InChIKey is UYRVYGSLJMKKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3.C14H12O3/c1-11-8-12(10-16(2,3)9-11)19-15(18)13-6-4-5-7-14(13)17;1-17-11-7-8-12(13(15)9-11)14(16)10-5-3-2-4-6-10/h4-7,11-12,17H,8-10H2,1-3H3;2-9,15H,1H3.
What are the key properties of (2-hydroxy-4-methoxyphenyl)-phenylmethanone;(3,3,5-trimethylcyclohexyl) 2-hydroxybenzoate?
(2-hydroxy-4-methoxyphenyl)-phenylmethanone;(3,3,5-trimethylcyclohexyl) 2-hydroxybenzoate has a molecular weight of 490.60 g/mol, XLogP of 6.40, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-4-methoxyphenyl)-phenylmethanone;(3,3,5-trimethylcyclohexyl) 2-hydroxybenzoate is sourced from PubChem (CID 66873710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).