(2R)-2-phenylheptan-3-ol

C13H20O — CID 91322845

IUPAC(2R)-2-phenylheptan-3-ol
SMILESCCCCC(O)[C@H](C)c1ccccc1
InChIInChI=1S/C13H20O/c1-3-4-10-13(14)11(2)12-8-6-5-7-9-12/h5-9,11,13-14H,3-4,10H2,1-2H3/t11-,13?/m1/s1
InChIKeyXHJPWJPKYQJVFO-JTDNENJMSA-N
MW192.30 g/mol
LogP3.34
Rot. Bonds5

About (2R)-2-phenylheptan-3-ol

(2R)-2-phenylheptan-3-ol (PubChem CID 91322845) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is (2R)-2-phenylheptan-3-ol.

Molecular Properties

Compound Name(2R)-2-phenylheptan-3-ol
PubChem CID91322845
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name(2R)-2-phenylheptan-3-ol
SMILESCCCCC(O)[C@H](C)c1ccccc1
InChIInChI=1S/C13H20O/c1-3-4-10-13(14)11(2)12-8-6-5-7-9-12/h5-9,11,13-14H,3-4,10H2,1-2H3/t11-,13?/m1/s1
InChIKeyXHJPWJPKYQJVFO-JTDNENJMSA-N
XLogP3.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-phenylpentan-1-ol
CID 6992754
(2S,3R)-2-phenylheptan-3-amine
CID 11252501
methyl (2S,3S)-3-hydroxy-2-[(1S)-1-phenylethyl]octanoate
CID 15605723
1-(butylamino)-5-phenylhexane-3,4-diol
CID 91031561
1,1-diphenylheptan-3-ol
CID 132530442
(1R)-1-phenyloctan-1-ol
CID 12794259
10-phenyltetradecan-5-ylbenzene
CID 22891787
propan-2-yl 2-deuterio-3-hydroxy-2-phenylheptanoate
CID 10880002
(2R,3S)-2-phenylhex-5-en-3-ol
CID 12633863
(1S,2R,3S,4S)-2-butyl-1-phenylheptane-1,3,4-triol
CID 101411892
phenylmethanol;1-phenylpentan-1-ol
CID 160862998
6-(oxolan-2-yl)-2-phenylhexan-3-ol
CID 65162298

Frequently Asked Questions

What is the IUPAC name of (2R)-2-phenylheptan-3-ol?
The IUPAC name of (2R)-2-phenylheptan-3-ol (CID 91322845) is (2R)-2-phenylheptan-3-ol.
What is the SMILES notation for (2R)-2-phenylheptan-3-ol?
The canonical SMILES for (2R)-2-phenylheptan-3-ol is CCCCC(O)[C@H](C)c1ccccc1.
What is the InChIKey of (2R)-2-phenylheptan-3-ol?
The InChIKey is XHJPWJPKYQJVFO-JTDNENJMSA-N. The full InChI is InChI=1S/C13H20O/c1-3-4-10-13(14)11(2)12-8-6-5-7-9-12/h5-9,11,13-14H,3-4,10H2,1-2H3/t11-,13?/m1/s1.
What are the key properties of (2R)-2-phenylheptan-3-ol?
(2R)-2-phenylheptan-3-ol has a molecular weight of 192.30 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-phenylheptan-3-ol is sourced from PubChem (CID 91322845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).