7-[3-[2-[3,4-bis(hydroxymethyl)phenyl]ethenyl]phenyl]-2-methylheptan-2-ol

C24H32O3 — CID 57167140

IUPAC7-[3-[2-[3,4-bis(hydroxymethyl)phenyl]ethenyl]phenyl]-2-methylheptan-2-ol
SMILESCC(C)(O)CCCCCc1cccc(C=Cc2ccc(CO)c(CO)c2)c1
InChIInChI=1S/C24H32O3/c1-24(2,27)14-5-3-4-7-19-8-6-9-20(15-19)10-11-21-12-13-22(17-25)23(16-21)18-26/h6,8-13,15-16,25-27H,3-5,7,14,17-18H2,1-2H3
InChIKeyUPMONUHDKZCFJB-UHFFFAOYSA-N
MW368.52 g/mol
LogP4.72
Rot. Bonds10

About 7-[3-[2-[3,4-bis(hydroxymethyl)phenyl]ethenyl]phenyl]-2-methylheptan-2-ol

7-[3-[2-[3,4-bis(hydroxymethyl)phenyl]ethenyl]phenyl]-2-methylheptan-2-ol (PubChem CID 57167140) has the molecular formula C24H32O3 and a molecular weight of 368.52 g/mol. Its IUPAC name is 7-[3-[2-[3,4-bis(hydroxymethyl)phenyl]ethenyl]phenyl]-2-methylheptan-2-ol.

Molecular Properties

Compound Name7-[3-[2-[3,4-bis(hydroxymethyl)phenyl]ethenyl]phenyl]-2-methylheptan-2-ol
PubChem CID57167140
Molecular FormulaC24H32O3
Molecular Weight368.52 g/mol
Exact Mass368.24
IUPAC Name7-[3-[2-[3,4-bis(hydroxymethyl)phenyl]ethenyl]phenyl]-2-methylheptan-2-ol
SMILESCC(C)(O)CCCCCc1cccc(C=Cc2ccc(CO)c(CO)c2)c1
InChIInChI=1S/C24H32O3/c1-24(2,27)14-5-3-4-7-19-8-6-9-20(15-19)10-11-21-12-13-22(17-25)23(16-21)18-26/h6,8-13,15-16,25-27H,3-5,7,14,17-18H2,1-2H3
InChIKeyUPMONUHDKZCFJB-UHFFFAOYSA-N
XLogP4.72
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 54.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-[3-[(E)-2-[4-(hydroxymethyl)phenyl]ethenyl]phenyl]-2-methylheptan-2-ol
CID 23439974
4-[2-[3-(6-hydroxy-6-methylheptyl)phenyl]ethenyl]benzene-1,2-diol
CID 57119515
3-[(E)-2-[3-(7-hydroxy-7-methyloctyl)phenyl]ethenyl]phenol
CID 23439737
7-[3-[2-[3-(hydroxymethyl)phenyl]ethyl]phenyl]-2-methylheptan-2-ol
CID 141024363
2-methyl-8-(3-methylphenyl)octan-2-ol
CID 143822225
7-[4-[2-[3-(hydroxymethyl)phenyl]ethyl]phenyl]-2-methylheptan-2-ol
CID 141024325
2-methyl-6-[4-(2-phenylethenyl)phenyl]hexan-2-ol
CID 57130205
2-methyl-6-phenylhexan-2-ol
CID 12716611
3-(3-tridecylphenyl)prop-2-enoic acid
CID 139730264
4-[2-[3-(3-aminopropyl)phenyl]ethenyl]heptan-4-ol
CID 66743795
[3-[2-[4-(4,4,4-trifluorobutylamino)phenyl]ethenyl]phenyl]methanol
CID 174640342
5-[2-[3-(6-hydroxy-7-methyloctyl)phenyl]ethenyl]benzene-1,3-diol
CID 57272502

Frequently Asked Questions

What is the IUPAC name of 7-[3-[2-[3,4-bis(hydroxymethyl)phenyl]ethenyl]phenyl]-2-methylheptan-2-ol?
The IUPAC name of 7-[3-[2-[3,4-bis(hydroxymethyl)phenyl]ethenyl]phenyl]-2-methylheptan-2-ol (CID 57167140) is 7-[3-[2-[3,4-bis(hydroxymethyl)phenyl]ethenyl]phenyl]-2-methylheptan-2-ol.
What is the SMILES notation for 7-[3-[2-[3,4-bis(hydroxymethyl)phenyl]ethenyl]phenyl]-2-methylheptan-2-ol?
The canonical SMILES for 7-[3-[2-[3,4-bis(hydroxymethyl)phenyl]ethenyl]phenyl]-2-methylheptan-2-ol is CC(C)(O)CCCCCc1cccc(C=Cc2ccc(CO)c(CO)c2)c1.
What is the InChIKey of 7-[3-[2-[3,4-bis(hydroxymethyl)phenyl]ethenyl]phenyl]-2-methylheptan-2-ol?
The InChIKey is UPMONUHDKZCFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32O3/c1-24(2,27)14-5-3-4-7-19-8-6-9-20(15-19)10-11-21-12-13-22(17-25)23(16-21)18-26/h6,8-13,15-16,25-27H,3-5,7,14,17-18H2,1-2H3.
What are the key properties of 7-[3-[2-[3,4-bis(hydroxymethyl)phenyl]ethenyl]phenyl]-2-methylheptan-2-ol?
7-[3-[2-[3,4-bis(hydroxymethyl)phenyl]ethenyl]phenyl]-2-methylheptan-2-ol has a molecular weight of 368.52 g/mol, XLogP of 4.72, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-[2-[3,4-bis(hydroxymethyl)phenyl]ethenyl]phenyl]-2-methylheptan-2-ol is sourced from PubChem (CID 57167140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).