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

C23H30O2 — CID 23439974

IUPAC7-[3-[(E)-2-[4-(hydroxymethyl)phenyl]ethenyl]phenyl]-2-methylheptan-2-ol
SMILESCC(C)(O)CCCCCc1cccc(/C=C/c2ccc(CO)cc2)c1
InChIInChI=1S/C23H30O2/c1-23(2,25)16-5-3-4-7-20-8-6-9-21(17-20)13-10-19-11-14-22(18-24)15-12-19/h6,8-15,17,24-25H,3-5,7,16,18H2,1-2H3/b13-10+
InChIKeyBLSGLYJDBUXROP-JLHYYAGUSA-N
MW338.49 g/mol
LogP5.22
Rot. Bonds9

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

7-[3-[(E)-2-[4-(hydroxymethyl)phenyl]ethenyl]phenyl]-2-methylheptan-2-ol (PubChem CID 23439974) has the molecular formula C23H30O2 and a molecular weight of 338.49 g/mol. Its IUPAC name is 7-[3-[(E)-2-[4-(hydroxymethyl)phenyl]ethenyl]phenyl]-2-methylheptan-2-ol.

Molecular Properties

Compound Name7-[3-[(E)-2-[4-(hydroxymethyl)phenyl]ethenyl]phenyl]-2-methylheptan-2-ol
PubChem CID23439974
Molecular FormulaC23H30O2
Molecular Weight338.49 g/mol
Exact Mass338.22
IUPAC Name7-[3-[(E)-2-[4-(hydroxymethyl)phenyl]ethenyl]phenyl]-2-methylheptan-2-ol
SMILESCC(C)(O)CCCCCc1cccc(/C=C/c2ccc(CO)cc2)c1
InChIInChI=1S/C23H30O2/c1-23(2,25)16-5-3-4-7-20-8-6-9-21(17-20)13-10-19-11-14-22(18-24)15-12-19/h6,8-15,17,24-25H,3-5,7,16,18H2,1-2H3/b13-10+
InChIKeyBLSGLYJDBUXROP-JLHYYAGUSA-N
XLogP5.22
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.49
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-[2-[3,4-bis(hydroxymethyl)phenyl]ethenyl]phenyl]-2-methylheptan-2-ol
CID 57167140
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-[4-[2-[3-(hydroxymethyl)phenyl]ethyl]phenyl]-2-methylheptan-2-ol
CID 141024325
7-[3-[2-[3-(hydroxymethyl)phenyl]ethyl]phenyl]-2-methylheptan-2-ol
CID 141024363
2-methyl-6-[4-(2-phenylethenyl)phenyl]hexan-2-ol
CID 57130205
2-methyl-8-(3-methylphenyl)octan-2-ol
CID 143822225
2-methyl-6-phenylhexan-2-ol
CID 12716611
[3-[2-[4-(4,4,4-trifluorobutylamino)phenyl]ethenyl]phenyl]methanol
CID 174640342
3-(3-tridecylphenyl)prop-2-enoic acid
CID 139730264
[3-[2-[4-(4,4,4-trifluorobutoxy)phenyl]ethenyl]phenyl]methanol
CID 174640456
(3-prop-1-enylphenyl)methanol
CID 73411411

Frequently Asked Questions

What is the IUPAC name of 7-[3-[(E)-2-[4-(hydroxymethyl)phenyl]ethenyl]phenyl]-2-methylheptan-2-ol?
The IUPAC name of 7-[3-[(E)-2-[4-(hydroxymethyl)phenyl]ethenyl]phenyl]-2-methylheptan-2-ol (CID 23439974) is 7-[3-[(E)-2-[4-(hydroxymethyl)phenyl]ethenyl]phenyl]-2-methylheptan-2-ol.
What is the SMILES notation for 7-[3-[(E)-2-[4-(hydroxymethyl)phenyl]ethenyl]phenyl]-2-methylheptan-2-ol?
The canonical SMILES for 7-[3-[(E)-2-[4-(hydroxymethyl)phenyl]ethenyl]phenyl]-2-methylheptan-2-ol is CC(C)(O)CCCCCc1cccc(/C=C/c2ccc(CO)cc2)c1.
What is the InChIKey of 7-[3-[(E)-2-[4-(hydroxymethyl)phenyl]ethenyl]phenyl]-2-methylheptan-2-ol?
The InChIKey is BLSGLYJDBUXROP-JLHYYAGUSA-N. The full InChI is InChI=1S/C23H30O2/c1-23(2,25)16-5-3-4-7-20-8-6-9-21(17-20)13-10-19-11-14-22(18-24)15-12-19/h6,8-15,17,24-25H,3-5,7,16,18H2,1-2H3/b13-10+.
What are the key properties of 7-[3-[(E)-2-[4-(hydroxymethyl)phenyl]ethenyl]phenyl]-2-methylheptan-2-ol?
7-[3-[(E)-2-[4-(hydroxymethyl)phenyl]ethenyl]phenyl]-2-methylheptan-2-ol has a molecular weight of 338.49 g/mol, XLogP of 5.22, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-[(E)-2-[4-(hydroxymethyl)phenyl]ethenyl]phenyl]-2-methylheptan-2-ol is sourced from PubChem (CID 23439974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).