4-[(E)-4,6-bis(4-hydroxyphenyl)-7-methyloct-4-en-2-yl]phenol

C27H30O3 — CID 141094996

IUPAC4-[(E)-4,6-bis(4-hydroxyphenyl)-7-methyloct-4-en-2-yl]phenol
SMILESCC(C/C(=C\C(c1ccc(O)cc1)C(C)C)c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C27H30O3/c1-18(2)27(22-8-14-26(30)15-9-22)17-23(21-6-12-25(29)13-7-21)16-19(3)20-4-10-24(28)11-5-20/h4-15,17-19,27-30H,16H2,1-3H3/b23-17+
InChIKeyBRFUWPUQSVWPOH-HAVVHWLPSA-N
MW402.53 g/mol
LogP6.82
Rot. Bonds7

About 4-[(E)-4,6-bis(4-hydroxyphenyl)-7-methyloct-4-en-2-yl]phenol

4-[(E)-4,6-bis(4-hydroxyphenyl)-7-methyloct-4-en-2-yl]phenol (PubChem CID 141094996) has the molecular formula C27H30O3 and a molecular weight of 402.53 g/mol. Its IUPAC name is 4-[(E)-4,6-bis(4-hydroxyphenyl)-7-methyloct-4-en-2-yl]phenol.

Molecular Properties

Compound Name4-[(E)-4,6-bis(4-hydroxyphenyl)-7-methyloct-4-en-2-yl]phenol
PubChem CID141094996
Molecular FormulaC27H30O3
Molecular Weight402.53 g/mol
Exact Mass402.22
IUPAC Name4-[(E)-4,6-bis(4-hydroxyphenyl)-7-methyloct-4-en-2-yl]phenol
SMILESCC(C/C(=C\C(c1ccc(O)cc1)C(C)C)c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C27H30O3/c1-18(2)27(22-8-14-26(30)15-9-22)17-23(21-6-12-25(29)13-7-21)16-19(3)20-4-10-24(28)11-5-20/h4-15,17-19,27-30H,16H2,1-3H3/b23-17+
InChIKeyBRFUWPUQSVWPOH-HAVVHWLPSA-N
XLogP6.82
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.53
LogP ≤ 56.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(4-hydroxyphenyl)hex-4-en-2-yl]phenol
CID 158413505
(4R)-4-(4-hydroxyphenyl)pentan-2-one
CID 157310522
4-[4-(4-aminophenyl)hex-4-en-2-yl]aniline
CID 159376150
2-(4-hydroxyphenyl)heptan-4-one
CID 141316463
4-[(1S)-1-amino-2-methylpropyl]phenol
CID 55278792
4-[(Z)-hept-5-en-2-yl]phenol
CID 143064321
N-[2-(4-hydroxyphenyl)propyl]acetamide
CID 14579439
4-[1-(oxiran-2-yl)propan-2-yl]phenol
CID 140856191
4-hexan-2-ylphenol
CID 12579179
4-(4,6-dimethylheptan-2-yl)phenol
CID 6427088
4-[1-(4-hydroxyphenyl)ethyl]phenol
CID 608116
4-[(2S)-6-methyl-4-oxohept-5-en-2-yl]benzoic acid
CID 162933956

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-4,6-bis(4-hydroxyphenyl)-7-methyloct-4-en-2-yl]phenol?
The IUPAC name of 4-[(E)-4,6-bis(4-hydroxyphenyl)-7-methyloct-4-en-2-yl]phenol (CID 141094996) is 4-[(E)-4,6-bis(4-hydroxyphenyl)-7-methyloct-4-en-2-yl]phenol.
What is the SMILES notation for 4-[(E)-4,6-bis(4-hydroxyphenyl)-7-methyloct-4-en-2-yl]phenol?
The canonical SMILES for 4-[(E)-4,6-bis(4-hydroxyphenyl)-7-methyloct-4-en-2-yl]phenol is CC(C/C(=C\C(c1ccc(O)cc1)C(C)C)c1ccc(O)cc1)c1ccc(O)cc1.
What is the InChIKey of 4-[(E)-4,6-bis(4-hydroxyphenyl)-7-methyloct-4-en-2-yl]phenol?
The InChIKey is BRFUWPUQSVWPOH-HAVVHWLPSA-N. The full InChI is InChI=1S/C27H30O3/c1-18(2)27(22-8-14-26(30)15-9-22)17-23(21-6-12-25(29)13-7-21)16-19(3)20-4-10-24(28)11-5-20/h4-15,17-19,27-30H,16H2,1-3H3/b23-17+.
What are the key properties of 4-[(E)-4,6-bis(4-hydroxyphenyl)-7-methyloct-4-en-2-yl]phenol?
4-[(E)-4,6-bis(4-hydroxyphenyl)-7-methyloct-4-en-2-yl]phenol has a molecular weight of 402.53 g/mol, XLogP of 6.82, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-4,6-bis(4-hydroxyphenyl)-7-methyloct-4-en-2-yl]phenol is sourced from PubChem (CID 141094996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).