[3-(1-hydroxyethyl)phenyl]-(3,4,5-trimethoxyphenyl)methanone

C18H20O5 — CID 174357857

IUPAC[3-(1-hydroxyethyl)phenyl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2cccc(C(C)O)c2)cc(OC)c1OC
InChIInChI=1S/C18H20O5/c1-11(19)12-6-5-7-13(8-12)17(20)14-9-15(21-2)18(23-4)16(10-14)22-3/h5-11,19H,1-4H3
InChIKeyDXZPZKNMRJVHLV-UHFFFAOYSA-N
MW316.35 g/mol
LogP3.00
Rot. Bonds6

About [3-(1-hydroxyethyl)phenyl]-(3,4,5-trimethoxyphenyl)methanone

[3-(1-hydroxyethyl)phenyl]-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 174357857) has the molecular formula C18H20O5 and a molecular weight of 316.35 g/mol. Its IUPAC name is [3-(1-hydroxyethyl)phenyl]-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[3-(1-hydroxyethyl)phenyl]-(3,4,5-trimethoxyphenyl)methanone
PubChem CID174357857
Molecular FormulaC18H20O5
Molecular Weight316.35 g/mol
Exact Mass316.13
IUPAC Name[3-(1-hydroxyethyl)phenyl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2cccc(C(C)O)c2)cc(OC)c1OC
InChIInChI=1S/C18H20O5/c1-11(19)12-6-5-7-13(8-12)17(20)14-9-15(21-2)18(23-4)16(10-14)22-3/h5-11,19H,1-4H3
InChIKeyDXZPZKNMRJVHLV-UHFFFAOYSA-N
XLogP3.00
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-methoxyphenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 10902719
(3-phenylphenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 53364048
(1R)-1-(3,4,5-trimethoxyphenyl)ethanol
CID 63365303
N-[4-(1-hydroxyethyl)phenyl]-3,4,5-trimethoxybenzamide
CID 91676904
(3,4-difluorophenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 146006227
tert-butyl N-[3-(3,4,5-trimethoxybenzoyl)phenyl]carbamate
CID 19894106
2-[3-(1-hydroxyethyl)phenyl]-2-oxoacetic acid
CID 117108988
3-[1-(4-chlorophenyl)-1,5-dioxo-5-(3,4,5-trimethoxyphenyl)pentan-3-yl]benzoic acid
CID 10458520
N-[1-(3-bromophenyl)ethyl]-3,4,5-trimethoxybenzamide
CID 46599431
(E)-3-[2-methoxy-5-(3,4,5-trimethoxybenzoyl)phenyl]-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 155806632
1,5-diphenyl-3-(3,4,5-trimethoxyphenyl)pentane-1,5-dione
CID 2731026
3,4,5-trimethoxy-N-(3-propan-2-yloxyphenyl)benzamide
CID 17154687

Frequently Asked Questions

What is the IUPAC name of [3-(1-hydroxyethyl)phenyl]-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of [3-(1-hydroxyethyl)phenyl]-(3,4,5-trimethoxyphenyl)methanone (CID 174357857) is [3-(1-hydroxyethyl)phenyl]-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for [3-(1-hydroxyethyl)phenyl]-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for [3-(1-hydroxyethyl)phenyl]-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)c2cccc(C(C)O)c2)cc(OC)c1OC.
What is the InChIKey of [3-(1-hydroxyethyl)phenyl]-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is DXZPZKNMRJVHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O5/c1-11(19)12-6-5-7-13(8-12)17(20)14-9-15(21-2)18(23-4)16(10-14)22-3/h5-11,19H,1-4H3.
What are the key properties of [3-(1-hydroxyethyl)phenyl]-(3,4,5-trimethoxyphenyl)methanone?
[3-(1-hydroxyethyl)phenyl]-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 316.35 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-hydroxyethyl)phenyl]-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 174357857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).