2-(2-heptan-3-ylphenyl)phenol

C19H24O — CID 66865867

IUPAC2-(2-heptan-3-ylphenyl)phenol
SMILESCCCCC(CC)c1ccccc1-c1ccccc1O
InChIInChI=1S/C19H24O/c1-3-5-10-15(4-2)16-11-6-7-12-17(16)18-13-8-9-14-19(18)20/h6-9,11-15,20H,3-5,10H2,1-2H3
InChIKeyGHYUWTXMKINGJB-UHFFFAOYSA-N
MW268.40 g/mol
LogP5.74
Rot. Bonds6

About 2-(2-heptan-3-ylphenyl)phenol

2-(2-heptan-3-ylphenyl)phenol (PubChem CID 66865867) has the molecular formula C19H24O and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-(2-heptan-3-ylphenyl)phenol.

Molecular Properties

Compound Name2-(2-heptan-3-ylphenyl)phenol
PubChem CID66865867
Molecular FormulaC19H24O
Molecular Weight268.40 g/mol
Exact Mass268.18
IUPAC Name2-(2-heptan-3-ylphenyl)phenol
SMILESCCCCC(CC)c1ccccc1-c1ccccc1O
InChIInChI=1S/C19H24O/c1-3-5-10-15(4-2)16-11-6-7-12-17(16)18-13-8-9-14-19(18)20/h6-9,11-15,20H,3-5,10H2,1-2H3
InChIKeyGHYUWTXMKINGJB-UHFFFAOYSA-N
XLogP5.74
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.40
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-nonan-3-ylphenyl)phenol
CID 66866452
2-(2-hexan-3-ylphenyl)phenol
CID 66866315
2-tetradecan-3-ylphenol
CID 66866793
2-dodecan-3-ylphenol
CID 12820018
2-pentadecan-6-ylphenol
CID 66865451
formaldehyde;2-tridecan-5-ylphenol
CID 130205554
2-dodecyl-3-nonan-3-ylphenol
CID 174777287
1-decan-3-yl-2-methylbenzene
CID 152506171
heptan-3-ylbenzene;methane
CID 159006232
2-(1-phenylpentyl)phenol
CID 19601156
3-hexan-3-yl-2-nonylphenol
CID 174697937
2-decyl-3-hexan-3-ylphenol
CID 174709915

Frequently Asked Questions

What is the IUPAC name of 2-(2-heptan-3-ylphenyl)phenol?
The IUPAC name of 2-(2-heptan-3-ylphenyl)phenol (CID 66865867) is 2-(2-heptan-3-ylphenyl)phenol.
What is the SMILES notation for 2-(2-heptan-3-ylphenyl)phenol?
The canonical SMILES for 2-(2-heptan-3-ylphenyl)phenol is CCCCC(CC)c1ccccc1-c1ccccc1O.
What is the InChIKey of 2-(2-heptan-3-ylphenyl)phenol?
The InChIKey is GHYUWTXMKINGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O/c1-3-5-10-15(4-2)16-11-6-7-12-17(16)18-13-8-9-14-19(18)20/h6-9,11-15,20H,3-5,10H2,1-2H3.
What are the key properties of 2-(2-heptan-3-ylphenyl)phenol?
2-(2-heptan-3-ylphenyl)phenol has a molecular weight of 268.40 g/mol, XLogP of 5.74, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-heptan-3-ylphenyl)phenol is sourced from PubChem (CID 66865867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).