2-methyl-7-phenylheptane-3,4-diol

C14H22O2 — CID 103456597

IUPAC2-methyl-7-phenylheptane-3,4-diol
SMILESCC(C)C(O)C(O)CCCc1ccccc1
InChIInChI=1S/C14H22O2/c1-11(2)14(16)13(15)10-6-9-12-7-4-3-5-8-12/h3-5,7-8,11,13-16H,6,9-10H2,1-2H3
InChIKeyLSHPBCQNAGNGKZ-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.39
Rot. Bonds6

About 2-methyl-7-phenylheptane-3,4-diol

2-methyl-7-phenylheptane-3,4-diol (PubChem CID 103456597) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-methyl-7-phenylheptane-3,4-diol.

Molecular Properties

Compound Name2-methyl-7-phenylheptane-3,4-diol
PubChem CID103456597
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name2-methyl-7-phenylheptane-3,4-diol
SMILESCC(C)C(O)C(O)CCCc1ccccc1
InChIInChI=1S/C14H22O2/c1-11(2)14(16)13(15)10-6-9-12-7-4-3-5-8-12/h3-5,7-8,11,13-16H,6,9-10H2,1-2H3
InChIKeyLSHPBCQNAGNGKZ-UHFFFAOYSA-N
XLogP2.39
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-7-phenylheptan-3-ol
CID 10976646
5-(aminomethyl)-6-methyl-1-phenylheptan-4-ol
CID 65185188
6-phenyl-3-propan-2-ylhexan-2-ol
CID 62914612
3-methyl-6-phenylhexan-2-ol
CID 54498182
4-methyl-7-phenylheptan-2-ol
CID 64718783
3-methyl-6-phenylhexan-2-one
CID 59396975
(2S,3R)-3-hydroxy-2-methyl-7-phenylheptanoic acid
CID 57188911
(2R,3R,4R,5S)-24-phenyltetracosane-1,2,3,4,5,6-hexol
CID 142718229
2-methyl-7-phenylhept-2-en-4-ol
CID 71663928
4-methyl-8-phenyloctan-3-ol
CID 114334468
[(2R)-5-phenylpentan-2-yl]benzene
CID 143889057
(2R)-5-phenylpentane-1,2-diol
CID 102483629

Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-phenylheptane-3,4-diol?
The IUPAC name of 2-methyl-7-phenylheptane-3,4-diol (CID 103456597) is 2-methyl-7-phenylheptane-3,4-diol.
What is the SMILES notation for 2-methyl-7-phenylheptane-3,4-diol?
The canonical SMILES for 2-methyl-7-phenylheptane-3,4-diol is CC(C)C(O)C(O)CCCc1ccccc1.
What is the InChIKey of 2-methyl-7-phenylheptane-3,4-diol?
The InChIKey is LSHPBCQNAGNGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-11(2)14(16)13(15)10-6-9-12-7-4-3-5-8-12/h3-5,7-8,11,13-16H,6,9-10H2,1-2H3.
What are the key properties of 2-methyl-7-phenylheptane-3,4-diol?
2-methyl-7-phenylheptane-3,4-diol has a molecular weight of 222.33 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-phenylheptane-3,4-diol is sourced from PubChem (CID 103456597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).