(4-hydroxyphenyl)-[5-methoxy-2-(methoxymethoxy)phenyl]methanone

C16H16O5 — CID 68911946

IUPAC(4-hydroxyphenyl)-[5-methoxy-2-(methoxymethoxy)phenyl]methanone
SMILESCOCOc1ccc(OC)cc1C(=O)c1ccc(O)cc1
InChIInChI=1S/C16H16O5/c1-19-10-21-15-8-7-13(20-2)9-14(15)16(18)11-3-5-12(17)6-4-11/h3-9,17H,10H2,1-2H3
InChIKeyKIWWZOADHJBONB-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.61
Rot. Bonds6

About (4-hydroxyphenyl)-[5-methoxy-2-(methoxymethoxy)phenyl]methanone

(4-hydroxyphenyl)-[5-methoxy-2-(methoxymethoxy)phenyl]methanone (PubChem CID 68911946) has the molecular formula C16H16O5 and a molecular weight of 288.30 g/mol. Its IUPAC name is (4-hydroxyphenyl)-[5-methoxy-2-(methoxymethoxy)phenyl]methanone.

Molecular Properties

Compound Name(4-hydroxyphenyl)-[5-methoxy-2-(methoxymethoxy)phenyl]methanone
PubChem CID68911946
Molecular FormulaC16H16O5
Molecular Weight288.30 g/mol
Exact Mass288.10
IUPAC Name(4-hydroxyphenyl)-[5-methoxy-2-(methoxymethoxy)phenyl]methanone
SMILESCOCOc1ccc(OC)cc1C(=O)c1ccc(O)cc1
InChIInChI=1S/C16H16O5/c1-19-10-21-15-8-7-13(20-2)9-14(15)16(18)11-3-5-12(17)6-4-11/h3-9,17H,10H2,1-2H3
InChIKeyKIWWZOADHJBONB-UHFFFAOYSA-N
XLogP2.61
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[2-(methoxymethoxy)-5-[phenylmethoxy-di(propan-2-yl)silyl]phenyl]-(4-methoxyphenyl)methanone
CID 10767460
(5-fluoro-2-methoxyphenyl)-(4-hydroxyphenyl)methanone
CID 82086032
[4-[[4-(methoxymethoxy)benzoyl]amino]-1-[(2-methylpropan-2-yl)oxycarbonyloxy]pyrrolidin-3-yl] 4-[5-methoxy-2-(methoxymethoxy)benzoyl]benzoate
CID 70285378
5-methoxy-2-[4-(methoxymethyl)benzoyl]benzoic acid
CID 69214250
4-(2,5-dimethoxybenzoyl)-N,N-dipropylbenzamide
CID 1377997
4-(2-hydroxy-4-methoxybenzoyl)benzoic acid
CID 22162022
(4-hydroxyphenyl)-[4-[4-[4-[4-(4-methoxybenzoyl)benzoyl]phenoxy]benzoyl]phenyl]methanone
CID 140957067
(5-methoxy-2-pyridin-2-yloxyphenyl)-phenylmethanone
CID 154487334
[5-methoxy-2-(methoxymethoxy)phenyl]boronic acid
CID 112694276
(2-fluoro-5-methoxyphenyl)-(4-methoxyphenyl)methanone
CID 102282476
N-[(2S)-butan-2-yl]-4-(2,5-dimethoxybenzoyl)benzamide
CID 1362819
(4-aminophenyl)-(2,5-diethoxyphenyl)methanone
CID 82267801

Frequently Asked Questions

What is the IUPAC name of (4-hydroxyphenyl)-[5-methoxy-2-(methoxymethoxy)phenyl]methanone?
The IUPAC name of (4-hydroxyphenyl)-[5-methoxy-2-(methoxymethoxy)phenyl]methanone (CID 68911946) is (4-hydroxyphenyl)-[5-methoxy-2-(methoxymethoxy)phenyl]methanone.
What is the SMILES notation for (4-hydroxyphenyl)-[5-methoxy-2-(methoxymethoxy)phenyl]methanone?
The canonical SMILES for (4-hydroxyphenyl)-[5-methoxy-2-(methoxymethoxy)phenyl]methanone is COCOc1ccc(OC)cc1C(=O)c1ccc(O)cc1.
What is the InChIKey of (4-hydroxyphenyl)-[5-methoxy-2-(methoxymethoxy)phenyl]methanone?
The InChIKey is KIWWZOADHJBONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O5/c1-19-10-21-15-8-7-13(20-2)9-14(15)16(18)11-3-5-12(17)6-4-11/h3-9,17H,10H2,1-2H3.
What are the key properties of (4-hydroxyphenyl)-[5-methoxy-2-(methoxymethoxy)phenyl]methanone?
(4-hydroxyphenyl)-[5-methoxy-2-(methoxymethoxy)phenyl]methanone has a molecular weight of 288.30 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxyphenyl)-[5-methoxy-2-(methoxymethoxy)phenyl]methanone is sourced from PubChem (CID 68911946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).