4-(2-methylheptan-3-yl)phenol

C14H22O — CID 174396505

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

About 4-(2-methylheptan-3-yl)phenol

4-(2-methylheptan-3-yl)phenol (PubChem CID 174396505) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 4-(2-methylheptan-3-yl)phenol.

Molecular Properties

Compound Name4-(2-methylheptan-3-yl)phenol
PubChem CID174396505
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name4-(2-methylheptan-3-yl)phenol
SMILESCCCCC(c1ccc(O)cc1)C(C)C
InChIInChI=1S/C14H22O/c1-4-5-6-14(11(2)3)12-7-9-13(15)10-8-12/h7-11,14-15H,4-6H2,1-3H3
InChIKeyHNIKWNRLZOIYIQ-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-[3-(4-hydroxyphenyl)heptan-2-yl]phenol
CID 158116149
4-(4-methyloctan-3-yl)phenol
CID 91753369
1-fluoro-4-(2-methylheptan-3-yl)benzene
CID 57227852
4-hexan-2-ylphenol
CID 12579179
1-methoxy-4-(2-methylheptan-3-yl)benzene
CID 54213021
4-(1-hydrazinylpentyl)phenol
CID 53402339
4-(3-methylheptan-4-yl)phenol
CID 123454111
4-undecan-6-ylphenol
CID 66867197
4-(1-hydroxytridecyl)phenol
CID 57120972
4-hexadecan-7-ylphenol
CID 71320883
2-methylhexane;4-methylphenol
CID 144980508
4-(4-methylhexan-3-yl)phenol
CID 123259382

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylheptan-3-yl)phenol?
The IUPAC name of 4-(2-methylheptan-3-yl)phenol (CID 174396505) is 4-(2-methylheptan-3-yl)phenol.
What is the SMILES notation for 4-(2-methylheptan-3-yl)phenol?
The canonical SMILES for 4-(2-methylheptan-3-yl)phenol is CCCCC(c1ccc(O)cc1)C(C)C.
What is the InChIKey of 4-(2-methylheptan-3-yl)phenol?
The InChIKey is HNIKWNRLZOIYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-4-5-6-14(11(2)3)12-7-9-13(15)10-8-12/h7-11,14-15H,4-6H2,1-3H3.
What are the key properties of 4-(2-methylheptan-3-yl)phenol?
4-(2-methylheptan-3-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-(2-methylheptan-3-yl)phenol is sourced from PubChem (CID 174396505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).