2-butyl-6-(4-propan-2-yl-2-propylphenyl)phenol

C22H30O — CID 151329532

IUPAC2-butyl-6-(4-propan-2-yl-2-propylphenyl)phenol
SMILESCCCCc1cccc(-c2ccc(C(C)C)cc2CCC)c1O
InChIInChI=1S/C22H30O/c1-5-7-10-17-11-8-12-21(22(17)23)20-14-13-18(16(3)4)15-19(20)9-6-2/h8,11-16,23H,5-7,9-10H2,1-4H3
InChIKeyOIDWUUFLTMRDSN-UHFFFAOYSA-N
MW310.48 g/mol
LogP6.48
Rot. Bonds7

About 2-butyl-6-(4-propan-2-yl-2-propylphenyl)phenol

2-butyl-6-(4-propan-2-yl-2-propylphenyl)phenol (PubChem CID 151329532) has the molecular formula C22H30O and a molecular weight of 310.48 g/mol. Its IUPAC name is 2-butyl-6-(4-propan-2-yl-2-propylphenyl)phenol.

Molecular Properties

Compound Name2-butyl-6-(4-propan-2-yl-2-propylphenyl)phenol
PubChem CID151329532
Molecular FormulaC22H30O
Molecular Weight310.48 g/mol
Exact Mass310.23
IUPAC Name2-butyl-6-(4-propan-2-yl-2-propylphenyl)phenol
SMILESCCCCc1cccc(-c2ccc(C(C)C)cc2CCC)c1O
InChIInChI=1S/C22H30O/c1-5-7-10-17-11-8-12-21(22(17)23)20-14-13-18(16(3)4)15-19(20)9-6-2/h8,11-16,23H,5-7,9-10H2,1-4H3
InChIKeyOIDWUUFLTMRDSN-UHFFFAOYSA-N
XLogP6.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.48
LogP ≤ 56.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-heptyl-4-propan-2-ylphenyl)phenol
CID 152650240
2-(2-hydroxyphenyl)-6-pentylphenol
CID 174858636
4-propan-2-yl-1,2-dipropylbenzene
CID 123478662
3-butyl-4-(2-butyl-4-hydroxyphenyl)phenol
CID 23353932
sodium;hydride;3-pentyl-7-propan-2-ylazulene-1-sulfonic acid
CID 173409983
2-[(1S)-1-aminoethyl]-6-propylphenol
CID 130625361
2-(4-hydroxy-3-propylphenyl)-6-propylphenol
CID 54407839
1-hexadecyl-5-propan-2-ylazulene
CID 19815774
1-heptadecyl-5-propan-2-ylazulene
CID 19996670
2-(aminomethyl)-6-butylphenol
CID 142528852
3-butyl-2-hydroxybenzoic acid
CID 18681512
2-butyl-6-(3-butyl-2-hydroxyphenoxy)phenol
CID 171777158

Frequently Asked Questions

What is the IUPAC name of 2-butyl-6-(4-propan-2-yl-2-propylphenyl)phenol?
The IUPAC name of 2-butyl-6-(4-propan-2-yl-2-propylphenyl)phenol (CID 151329532) is 2-butyl-6-(4-propan-2-yl-2-propylphenyl)phenol.
What is the SMILES notation for 2-butyl-6-(4-propan-2-yl-2-propylphenyl)phenol?
The canonical SMILES for 2-butyl-6-(4-propan-2-yl-2-propylphenyl)phenol is CCCCc1cccc(-c2ccc(C(C)C)cc2CCC)c1O.
What is the InChIKey of 2-butyl-6-(4-propan-2-yl-2-propylphenyl)phenol?
The InChIKey is OIDWUUFLTMRDSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30O/c1-5-7-10-17-11-8-12-21(22(17)23)20-14-13-18(16(3)4)15-19(20)9-6-2/h8,11-16,23H,5-7,9-10H2,1-4H3.
What are the key properties of 2-butyl-6-(4-propan-2-yl-2-propylphenyl)phenol?
2-butyl-6-(4-propan-2-yl-2-propylphenyl)phenol has a molecular weight of 310.48 g/mol, XLogP of 6.48, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-6-(4-propan-2-yl-2-propylphenyl)phenol is sourced from PubChem (CID 151329532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).