(4-hexoxy-2-hydroxyphenyl)-(2-hydroxyphenyl)methanone

C19H22O4 — CID 19832534

IUPAC(4-hexoxy-2-hydroxyphenyl)-(2-hydroxyphenyl)methanone
SMILESCCCCCCOc1ccc(C(=O)c2ccccc2O)c(O)c1
InChIInChI=1S/C19H22O4/c1-2-3-4-7-12-23-14-10-11-16(18(21)13-14)19(22)15-8-5-6-9-17(15)20/h5-6,8-11,13,20-21H,2-4,7,12H2,1H3
InChIKeyCRKBNXAOOOPZJV-UHFFFAOYSA-N
MW314.38 g/mol
LogP4.29
Rot. Bonds8

About (4-hexoxy-2-hydroxyphenyl)-(2-hydroxyphenyl)methanone

(4-hexoxy-2-hydroxyphenyl)-(2-hydroxyphenyl)methanone (PubChem CID 19832534) has the molecular formula C19H22O4 and a molecular weight of 314.38 g/mol. Its IUPAC name is (4-hexoxy-2-hydroxyphenyl)-(2-hydroxyphenyl)methanone.

Molecular Properties

Compound Name(4-hexoxy-2-hydroxyphenyl)-(2-hydroxyphenyl)methanone
PubChem CID19832534
Molecular FormulaC19H22O4
Molecular Weight314.38 g/mol
Exact Mass314.15
IUPAC Name(4-hexoxy-2-hydroxyphenyl)-(2-hydroxyphenyl)methanone
SMILESCCCCCCOc1ccc(C(=O)c2ccccc2O)c(O)c1
InChIInChI=1S/C19H22O4/c1-2-3-4-7-12-23-14-10-11-16(18(21)13-14)19(22)15-8-5-6-9-17(15)20/h5-6,8-11,13,20-21H,2-4,7,12H2,1H3
InChIKeyCRKBNXAOOOPZJV-UHFFFAOYSA-N
XLogP4.29
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-dodecoxy-2-hydroxyphenyl)-phenylmethanone;(2-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone
CID 22644201
(4-heptadecoxy-2-hydroxyphenyl)-phenylmethanone
CID 21448860
(4-butoxy-2-hydroxyphenyl)-phenylmethanone;(2-hydroxy-4-octoxyphenyl)-phenylmethanone
CID 67726812
[2,4-di(undecoxy)phenyl]-(2-hydroxy-4-undecoxyphenyl)methanone
CID 20743749
bis(2,4-dihydroxyphenyl)methanone;(4-dodecoxy-2-hydroxyphenyl)-phenylmethanone
CID 162233219
dichloromethane;(2-hydroxy-4-octoxyphenyl)-phenylmethanone
CID 174965909
[4-[4-(4-benzoyl-3-hydroxyphenoxy)butoxy]-2-hydroxyphenyl]-phenylmethanone;(4-dodecoxy-2-hydroxyphenyl)-phenylmethanone;(2-hydroxy-4-phenylmethoxyphenyl)-phenylmethanone
CID 162002318
5-hexadecoxy-2-hydroxy-N'-(2-hydroxybenzoyl)benzohydrazide
CID 20557169
bis(4-butoxy-2-hydroxyphenyl)methanone;bis(2-hydroxy-4-propan-2-yloxyphenyl)methanone
CID 162086592
1-(4-hexoxy-2-hydroxyphenyl)-2-phenylethanone
CID 4534112
1,2-bis(5-decoxy-2-hydroxyphenyl)ethane-1,2-dione
CID 11757389
3-(4-benzoyl-3-hydroxyphenoxy)propyl-dodecyl-dimethylazanium
CID 59746989

Frequently Asked Questions

What is the IUPAC name of (4-hexoxy-2-hydroxyphenyl)-(2-hydroxyphenyl)methanone?
The IUPAC name of (4-hexoxy-2-hydroxyphenyl)-(2-hydroxyphenyl)methanone (CID 19832534) is (4-hexoxy-2-hydroxyphenyl)-(2-hydroxyphenyl)methanone.
What is the SMILES notation for (4-hexoxy-2-hydroxyphenyl)-(2-hydroxyphenyl)methanone?
The canonical SMILES for (4-hexoxy-2-hydroxyphenyl)-(2-hydroxyphenyl)methanone is CCCCCCOc1ccc(C(=O)c2ccccc2O)c(O)c1.
What is the InChIKey of (4-hexoxy-2-hydroxyphenyl)-(2-hydroxyphenyl)methanone?
The InChIKey is CRKBNXAOOOPZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O4/c1-2-3-4-7-12-23-14-10-11-16(18(21)13-14)19(22)15-8-5-6-9-17(15)20/h5-6,8-11,13,20-21H,2-4,7,12H2,1H3.
What are the key properties of (4-hexoxy-2-hydroxyphenyl)-(2-hydroxyphenyl)methanone?
(4-hexoxy-2-hydroxyphenyl)-(2-hydroxyphenyl)methanone has a molecular weight of 314.38 g/mol, XLogP of 4.29, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hexoxy-2-hydroxyphenyl)-(2-hydroxyphenyl)methanone is sourced from PubChem (CID 19832534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).