4-(3-methylheptan-4-yl)phenol

C14H22O — CID 123454111

IUPAC4-(3-methylheptan-4-yl)phenol
SMILESCCCC(c1ccc(O)cc1)C(C)CC
InChIInChI=1S/C14H22O/c1-4-6-14(11(3)5-2)12-7-9-13(15)10-8-12/h7-11,14-15H,4-6H2,1-3H3
InChIKeySIOKYFSLLVPIMQ-UHFFFAOYSA-N
MW206.33 g/mol
LogP4.32
Rot. Bonds5

About 4-(3-methylheptan-4-yl)phenol

4-(3-methylheptan-4-yl)phenol (PubChem CID 123454111) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 4-(3-methylheptan-4-yl)phenol.

Molecular Properties

Compound Name4-(3-methylheptan-4-yl)phenol
PubChem CID123454111
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name4-(3-methylheptan-4-yl)phenol
SMILESCCCC(c1ccc(O)cc1)C(C)CC
InChIInChI=1S/C14H22O/c1-4-6-14(11(3)5-2)12-7-9-13(15)10-8-12/h7-11,14-15H,4-6H2,1-3H3
InChIKeySIOKYFSLLVPIMQ-UHFFFAOYSA-N
XLogP4.32
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(4-methylhexan-3-yl)phenol
CID 123259382
1-methyl-4-[(4S)-3-methylheptan-4-yl]benzene
CID 142349807
4-(4-methyloctan-3-yl)phenol
CID 91753369
4-(3,6,6-trimethyloctan-4-yl)phenol
CID 123661034
4-(2-methylheptan-3-yl)phenol
CID 174396505
4-[3-(4-hydroxyphenyl)heptan-2-yl]phenol
CID 158116149
4-[3-(4-hydroxyphenyl)-2-methylpentyl]phenol
CID 4546967
4-[6-(4-hydroxyphenyl)nonan-4-yl]phenol
CID 163777364
4-[(3S)-4-hydroxyhexan-3-yl]phenol
CID 175488649
4-[(2R,3S)-1-hydroxy-2-(4-hydroxyphenyl)pentan-3-yl]phenol
CID 12962984
4-[4-(4-methylphenyl)hexan-3-yl]phenol
CID 3847836
4-[(3S,4R)-4-(4-methoxyphenyl)hexan-3-yl]phenol
CID 11954178

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylheptan-4-yl)phenol?
The IUPAC name of 4-(3-methylheptan-4-yl)phenol (CID 123454111) is 4-(3-methylheptan-4-yl)phenol.
What is the SMILES notation for 4-(3-methylheptan-4-yl)phenol?
The canonical SMILES for 4-(3-methylheptan-4-yl)phenol is CCCC(c1ccc(O)cc1)C(C)CC.
What is the InChIKey of 4-(3-methylheptan-4-yl)phenol?
The InChIKey is SIOKYFSLLVPIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-4-6-14(11(3)5-2)12-7-9-13(15)10-8-12/h7-11,14-15H,4-6H2,1-3H3.
What are the key properties of 4-(3-methylheptan-4-yl)phenol?
4-(3-methylheptan-4-yl)phenol has a molecular weight of 206.33 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylheptan-4-yl)phenol is sourced from PubChem (CID 123454111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).