[2-hydroxy-4-[4-(2-methoxyphenoxy)butoxy]-3-methylphenyl]-(3-methoxyphenyl)methanone

C26H28O6 — CID 176768272

IUPAC[2-hydroxy-4-[4-(2-methoxyphenoxy)butoxy]-3-methylphenyl]-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)c2ccc(OCCCCOc3ccccc3OC)c(C)c2O)c1
InChIInChI=1S/C26H28O6/c1-18-22(31-15-6-7-16-32-24-12-5-4-11-23(24)30-3)14-13-21(25(18)27)26(28)19-9-8-10-20(17-19)29-2/h4-5,8-14,17,27H,6-7,15-16H2,1-3H3
InChIKeyBHYBVNWFCKIRRW-UHFFFAOYSA-N
MW436.50 g/mol
LogP5.19
Rot. Bonds11

About [2-hydroxy-4-[4-(2-methoxyphenoxy)butoxy]-3-methylphenyl]-(3-methoxyphenyl)methanone

[2-hydroxy-4-[4-(2-methoxyphenoxy)butoxy]-3-methylphenyl]-(3-methoxyphenyl)methanone (PubChem CID 176768272) has the molecular formula C26H28O6 and a molecular weight of 436.50 g/mol. Its IUPAC name is [2-hydroxy-4-[4-(2-methoxyphenoxy)butoxy]-3-methylphenyl]-(3-methoxyphenyl)methanone.

Molecular Properties

Compound Name[2-hydroxy-4-[4-(2-methoxyphenoxy)butoxy]-3-methylphenyl]-(3-methoxyphenyl)methanone
PubChem CID176768272
Molecular FormulaC26H28O6
Molecular Weight436.50 g/mol
Exact Mass436.19
IUPAC Name[2-hydroxy-4-[4-(2-methoxyphenoxy)butoxy]-3-methylphenyl]-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)c2ccc(OCCCCOc3ccccc3OC)c(C)c2O)c1
InChIInChI=1S/C26H28O6/c1-18-22(31-15-6-7-16-32-24-12-5-4-11-23(24)30-3)14-13-21(25(18)27)26(28)19-9-8-10-20(17-19)29-2/h4-5,8-14,17,27H,6-7,15-16H2,1-3H3
InChIKeyBHYBVNWFCKIRRW-UHFFFAOYSA-N
XLogP5.19
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.50
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[4-(4-acetyl-3-hydroxy-2-methylphenoxy)butoxy]-4-methoxybenzoic acid
CID 90643896
(2-ethoxyphenyl)-(3-methoxyphenyl)methanone
CID 62802553
(2-butoxy-4-methoxyphenyl)-phenylmethanone
CID 18335918
2-(2-methoxyphenoxy)ethyl-[3-(3-methoxyphenyl)-3-oxopropyl]azanium chloride
CID 110177067
3-[2-(2-methoxyphenoxy)ethylamino]-1-(3-methoxyphenyl)propan-1-one
CID 110177068
1-[2-hydroxy-3-methyl-4-(4-phenoxybutoxy)phenyl]-3-methylbutan-1-one
CID 11494153
(4-chloro-2-methoxyphenyl)-(3-methoxyphenyl)methanone
CID 114962459
benzoyl chloride;[2-hydroxy-3-methyl-4-[4-[4-(2H-tetrazol-5-yl)phenoxy]butoxy]phenyl]-phenylmethanone
CID 87963419
(3-methoxyphenyl)-(2,3,4,5,6-pentamethylphenyl)methanone
CID 43159799
3-[4-[4-(2,2-dimethylbutanoyl)-3-hydroxy-2-methylphenoxy]butoxy]-4-methoxy-N-methylbenzamide
CID 118437072
3-[4-[4-(4-fluoro-4-methylpentanoyl)-3-hydroxy-2-methylphenoxy]butoxy]-4-methoxybenzoic acid
CID 118447135
(3-methoxyphenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 10902719

Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-4-[4-(2-methoxyphenoxy)butoxy]-3-methylphenyl]-(3-methoxyphenyl)methanone?
The IUPAC name of [2-hydroxy-4-[4-(2-methoxyphenoxy)butoxy]-3-methylphenyl]-(3-methoxyphenyl)methanone (CID 176768272) is [2-hydroxy-4-[4-(2-methoxyphenoxy)butoxy]-3-methylphenyl]-(3-methoxyphenyl)methanone.
What is the SMILES notation for [2-hydroxy-4-[4-(2-methoxyphenoxy)butoxy]-3-methylphenyl]-(3-methoxyphenyl)methanone?
The canonical SMILES for [2-hydroxy-4-[4-(2-methoxyphenoxy)butoxy]-3-methylphenyl]-(3-methoxyphenyl)methanone is COc1cccc(C(=O)c2ccc(OCCCCOc3ccccc3OC)c(C)c2O)c1.
What is the InChIKey of [2-hydroxy-4-[4-(2-methoxyphenoxy)butoxy]-3-methylphenyl]-(3-methoxyphenyl)methanone?
The InChIKey is BHYBVNWFCKIRRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28O6/c1-18-22(31-15-6-7-16-32-24-12-5-4-11-23(24)30-3)14-13-21(25(18)27)26(28)19-9-8-10-20(17-19)29-2/h4-5,8-14,17,27H,6-7,15-16H2,1-3H3.
What are the key properties of [2-hydroxy-4-[4-(2-methoxyphenoxy)butoxy]-3-methylphenyl]-(3-methoxyphenyl)methanone?
[2-hydroxy-4-[4-(2-methoxyphenoxy)butoxy]-3-methylphenyl]-(3-methoxyphenyl)methanone has a molecular weight of 436.50 g/mol, XLogP of 5.19, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-4-[4-(2-methoxyphenoxy)butoxy]-3-methylphenyl]-(3-methoxyphenyl)methanone is sourced from PubChem (CID 176768272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).