4-[3-methyl-4-[3-[4-(3-methylbutyl)phenyl]phenyl]butyl]phenol

C28H34O — CID 135182549

IUPAC4-[3-methyl-4-[3-[4-(3-methylbutyl)phenyl]phenyl]butyl]phenol
SMILESCC(C)CCc1ccc(-c2cccc(CC(C)CCc3ccc(O)cc3)c2)cc1
InChIInChI=1S/C28H34O/c1-21(2)7-9-23-11-15-26(16-12-23)27-6-4-5-25(20-27)19-22(3)8-10-24-13-17-28(29)18-14-24/h4-6,11-18,20-22,29H,7-10,19H2,1-3H3
InChIKeyBKTQAXBSXRTKPJ-UHFFFAOYSA-N
MW386.58 g/mol
LogP7.46
Rot. Bonds9

About 4-[3-methyl-4-[3-[4-(3-methylbutyl)phenyl]phenyl]butyl]phenol

4-[3-methyl-4-[3-[4-(3-methylbutyl)phenyl]phenyl]butyl]phenol (PubChem CID 135182549) has the molecular formula C28H34O and a molecular weight of 386.58 g/mol. Its IUPAC name is 4-[3-methyl-4-[3-[4-(3-methylbutyl)phenyl]phenyl]butyl]phenol.

Molecular Properties

Compound Name4-[3-methyl-4-[3-[4-(3-methylbutyl)phenyl]phenyl]butyl]phenol
PubChem CID135182549
Molecular FormulaC28H34O
Molecular Weight386.58 g/mol
Exact Mass386.26
IUPAC Name4-[3-methyl-4-[3-[4-(3-methylbutyl)phenyl]phenyl]butyl]phenol
SMILESCC(C)CCc1ccc(-c2cccc(CC(C)CCc3ccc(O)cc3)c2)cc1
InChIInChI=1S/C28H34O/c1-21(2)7-9-23-11-15-26(16-12-23)27-6-4-5-25(20-27)19-22(3)8-10-24-13-17-28(29)18-14-24/h4-6,11-18,20-22,29H,7-10,19H2,1-3H3
InChIKeyBKTQAXBSXRTKPJ-UHFFFAOYSA-N
XLogP7.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.58
LogP ≤ 57.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[3-(5-amino-3-methylpentyl)phenyl]phenol
CID 82542822
1-(3-methylbutyl)-3-phenylbenzene
CID 21063782
1-(3-methylbutyl)-3-(2-methylpropyl)benzene;1-(3-methylbutyl)-4-(2-methylpropyl)benzene
CID 158814859
4-(4-methyl-5-phenylpentyl)phenol
CID 158681288
4-(3-methylpentyl)phenol
CID 57225129
4-[4-(3-methylbutyl)phenoxy]phenol
CID 10199007
4-[3-(fluoromethyl)phenyl]phenol
CID 174968947
4-(3,5-dimethyloctyl)phenol
CID 174906830
1-(4-methylpentyl)-3-phenylbenzene
CID 19790542
1,3-bis(3-methylbutyl)benzene;ethane
CID 159024866
4-(3-benzylphenyl)phenol
CID 101277658
5-[4-(3-fluorophenyl)phenyl]-3-methylpentan-1-amine
CID 82542776

Frequently Asked Questions

What is the IUPAC name of 4-[3-methyl-4-[3-[4-(3-methylbutyl)phenyl]phenyl]butyl]phenol?
The IUPAC name of 4-[3-methyl-4-[3-[4-(3-methylbutyl)phenyl]phenyl]butyl]phenol (CID 135182549) is 4-[3-methyl-4-[3-[4-(3-methylbutyl)phenyl]phenyl]butyl]phenol.
What is the SMILES notation for 4-[3-methyl-4-[3-[4-(3-methylbutyl)phenyl]phenyl]butyl]phenol?
The canonical SMILES for 4-[3-methyl-4-[3-[4-(3-methylbutyl)phenyl]phenyl]butyl]phenol is CC(C)CCc1ccc(-c2cccc(CC(C)CCc3ccc(O)cc3)c2)cc1.
What is the InChIKey of 4-[3-methyl-4-[3-[4-(3-methylbutyl)phenyl]phenyl]butyl]phenol?
The InChIKey is BKTQAXBSXRTKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34O/c1-21(2)7-9-23-11-15-26(16-12-23)27-6-4-5-25(20-27)19-22(3)8-10-24-13-17-28(29)18-14-24/h4-6,11-18,20-22,29H,7-10,19H2,1-3H3.
What are the key properties of 4-[3-methyl-4-[3-[4-(3-methylbutyl)phenyl]phenyl]butyl]phenol?
4-[3-methyl-4-[3-[4-(3-methylbutyl)phenyl]phenyl]butyl]phenol has a molecular weight of 386.58 g/mol, XLogP of 7.46, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-methyl-4-[3-[4-(3-methylbutyl)phenyl]phenyl]butyl]phenol is sourced from PubChem (CID 135182549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).