4-methyl-7-phenylheptan-2-ol

C14H22O — CID 64718783

IUPAC4-methyl-7-phenylheptan-2-ol
SMILESCC(O)CC(C)CCCc1ccccc1
InChIInChI=1S/C14H22O/c1-12(11-13(2)15)7-6-10-14-8-4-3-5-9-14/h3-5,8-9,12-13,15H,6-7,10-11H2,1-2H3
InChIKeyUUGIJRXPLFJFFG-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.42
Rot. Bonds6

About 4-methyl-7-phenylheptan-2-ol

4-methyl-7-phenylheptan-2-ol (PubChem CID 64718783) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 4-methyl-7-phenylheptan-2-ol.

Molecular Properties

Compound Name4-methyl-7-phenylheptan-2-ol
PubChem CID64718783
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name4-methyl-7-phenylheptan-2-ol
SMILESCC(O)CC(C)CCCc1ccccc1
InChIInChI=1S/C14H22O/c1-12(11-13(2)15)7-6-10-14-8-4-3-5-9-14/h3-5,8-9,12-13,15H,6-7,10-11H2,1-2H3
InChIKeyUUGIJRXPLFJFFG-UHFFFAOYSA-N
XLogP3.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-phenyl-3-propan-2-ylhexan-2-ol
CID 62914612
4-(4-methyl-5-phenylpentyl)phenol
CID 158681288
3-methyl-6-phenylhexan-2-ol
CID 54498182
(2R,4S)-6-phenylhexane-2,4-diol
CID 101030295
5-methylheptylbenzene
CID 564254
2-methyl-7-phenylheptane-3,4-diol
CID 103456597
4-(3-phenylpropoxy)pentan-2-ol
CID 64720180
5-phenyl-1-propan-2-yloxypentan-2-ol
CID 14984664
N,3-dimethyl-6-phenylhexan-1-amine
CID 81012432
2-methyl-7-phenylheptan-3-ol
CID 10976646
N-benzyl-2-methyl-5-phenylpentan-1-amine
CID 19048188
[(2R)-5-phenylpentan-2-yl]benzene
CID 143889057

Frequently Asked Questions

What is the IUPAC name of 4-methyl-7-phenylheptan-2-ol?
The IUPAC name of 4-methyl-7-phenylheptan-2-ol (CID 64718783) is 4-methyl-7-phenylheptan-2-ol.
What is the SMILES notation for 4-methyl-7-phenylheptan-2-ol?
The canonical SMILES for 4-methyl-7-phenylheptan-2-ol is CC(O)CC(C)CCCc1ccccc1.
What is the InChIKey of 4-methyl-7-phenylheptan-2-ol?
The InChIKey is UUGIJRXPLFJFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-12(11-13(2)15)7-6-10-14-8-4-3-5-9-14/h3-5,8-9,12-13,15H,6-7,10-11H2,1-2H3.
What are the key properties of 4-methyl-7-phenylheptan-2-ol?
4-methyl-7-phenylheptan-2-ol has a molecular weight of 206.33 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7-phenylheptan-2-ol is sourced from PubChem (CID 64718783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).