2-methyl-7-phenylheptan-3-ol

C14H22O — CID 10976646

IUPAC2-methyl-7-phenylheptan-3-ol
SMILESCC(C)C(O)CCCCc1ccccc1
InChIInChI=1S/C14H22O/c1-12(2)14(15)11-7-6-10-13-8-4-3-5-9-13/h3-5,8-9,12,14-15H,6-7,10-11H2,1-2H3
InChIKeyLVCNCYLJPGCAAU-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.42
Rot. Bonds6

About 2-methyl-7-phenylheptan-3-ol

2-methyl-7-phenylheptan-3-ol (PubChem CID 10976646) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 2-methyl-7-phenylheptan-3-ol.

Molecular Properties

Compound Name2-methyl-7-phenylheptan-3-ol
PubChem CID10976646
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name2-methyl-7-phenylheptan-3-ol
SMILESCC(C)C(O)CCCCc1ccccc1
InChIInChI=1S/C14H22O/c1-12(2)14(15)11-7-6-10-13-8-4-3-5-9-13/h3-5,8-9,12,14-15H,6-7,10-11H2,1-2H3
InChIKeyLVCNCYLJPGCAAU-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-7-phenylheptane-3,4-diol
CID 103456597
(2S,3R)-3-hydroxy-2-methyl-7-phenylheptanoic acid
CID 57188911
4-methyl-8-phenyloctan-3-ol
CID 114334468
15-phenylpentadecane-1,1-diol
CID 139927269
5-(aminomethyl)-6-methyl-1-phenylheptan-4-ol
CID 65185188
5-methylheptylbenzene
CID 564254
6-phenyl-3-propan-2-ylhexan-2-ol
CID 62914612
6-(4-iodophenyl)-2-methylhexan-3-ol
CID 65490172
7-phenyl-2-propan-2-ylheptanoic acid
CID 15660880
(2R,3R,4R,5S)-24-phenyltetracosane-1,2,3,4,5,6-hexol
CID 142718229
6-phenylhexan-2-ylbenzene
CID 19704587
3-methyl-6-phenylhexan-2-ol
CID 54498182

Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-phenylheptan-3-ol?
The IUPAC name of 2-methyl-7-phenylheptan-3-ol (CID 10976646) is 2-methyl-7-phenylheptan-3-ol.
What is the SMILES notation for 2-methyl-7-phenylheptan-3-ol?
The canonical SMILES for 2-methyl-7-phenylheptan-3-ol is CC(C)C(O)CCCCc1ccccc1.
What is the InChIKey of 2-methyl-7-phenylheptan-3-ol?
The InChIKey is LVCNCYLJPGCAAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-12(2)14(15)11-7-6-10-13-8-4-3-5-9-13/h3-5,8-9,12,14-15H,6-7,10-11H2,1-2H3.
What are the key properties of 2-methyl-7-phenylheptan-3-ol?
2-methyl-7-phenylheptan-3-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 2-methyl-7-phenylheptan-3-ol is sourced from PubChem (CID 10976646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).