2-hexan-3-yl-4-[4-(4-hydroxyphenyl)cyclohexa-1,3-dien-1-yl]phenol

C24H28O2 — CID 67512455

IUPAC2-hexan-3-yl-4-[4-(4-hydroxyphenyl)cyclohexa-1,3-dien-1-yl]phenol
SMILESCCCC(CC)c1cc(C2=CC=C(c3ccc(O)cc3)CC2)ccc1O
InChIInChI=1S/C24H28O2/c1-3-5-17(4-2)23-16-21(12-15-24(23)26)20-8-6-18(7-9-20)19-10-13-22(25)14-11-19/h6,8,10-17,25-26H,3-5,7,9H2,1-2H3
InChIKeyZHJZUAAQWVBCFX-UHFFFAOYSA-N
MW348.49 g/mol
LogP6.65
Rot. Bonds6

About 2-hexan-3-yl-4-[4-(4-hydroxyphenyl)cyclohexa-1,3-dien-1-yl]phenol

2-hexan-3-yl-4-[4-(4-hydroxyphenyl)cyclohexa-1,3-dien-1-yl]phenol (PubChem CID 67512455) has the molecular formula C24H28O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is 2-hexan-3-yl-4-[4-(4-hydroxyphenyl)cyclohexa-1,3-dien-1-yl]phenol.

Molecular Properties

Compound Name2-hexan-3-yl-4-[4-(4-hydroxyphenyl)cyclohexa-1,3-dien-1-yl]phenol
PubChem CID67512455
Molecular FormulaC24H28O2
Molecular Weight348.49 g/mol
Exact Mass348.21
IUPAC Name2-hexan-3-yl-4-[4-(4-hydroxyphenyl)cyclohexa-1,3-dien-1-yl]phenol
SMILESCCCC(CC)c1cc(C2=CC=C(c3ccc(O)cc3)CC2)ccc1O
InChIInChI=1S/C24H28O2/c1-3-5-17(4-2)23-16-21(12-15-24(23)26)20-8-6-18(7-9-20)19-10-13-22(25)14-11-19/h6,8,10-17,25-26H,3-5,7,9H2,1-2H3
InChIKeyZHJZUAAQWVBCFX-UHFFFAOYSA-N
XLogP6.65
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.49
LogP ≤ 56.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-hexan-3-yl-4-[4-(4-hydroxyphenyl)cyclohexa-1,3-dien-1-yl]phenol?
The IUPAC name of 2-hexan-3-yl-4-[4-(4-hydroxyphenyl)cyclohexa-1,3-dien-1-yl]phenol (CID 67512455) is 2-hexan-3-yl-4-[4-(4-hydroxyphenyl)cyclohexa-1,3-dien-1-yl]phenol.
What is the SMILES notation for 2-hexan-3-yl-4-[4-(4-hydroxyphenyl)cyclohexa-1,3-dien-1-yl]phenol?
The canonical SMILES for 2-hexan-3-yl-4-[4-(4-hydroxyphenyl)cyclohexa-1,3-dien-1-yl]phenol is CCCC(CC)c1cc(C2=CC=C(c3ccc(O)cc3)CC2)ccc1O.
What is the InChIKey of 2-hexan-3-yl-4-[4-(4-hydroxyphenyl)cyclohexa-1,3-dien-1-yl]phenol?
The InChIKey is ZHJZUAAQWVBCFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28O2/c1-3-5-17(4-2)23-16-21(12-15-24(23)26)20-8-6-18(7-9-20)19-10-13-22(25)14-11-19/h6,8,10-17,25-26H,3-5,7,9H2,1-2H3.
What are the key properties of 2-hexan-3-yl-4-[4-(4-hydroxyphenyl)cyclohexa-1,3-dien-1-yl]phenol?
2-hexan-3-yl-4-[4-(4-hydroxyphenyl)cyclohexa-1,3-dien-1-yl]phenol has a molecular weight of 348.49 g/mol, XLogP of 6.65, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexan-3-yl-4-[4-(4-hydroxyphenyl)cyclohexa-1,3-dien-1-yl]phenol is sourced from PubChem (CID 67512455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).