(3R,4R)-2,2,3-trimethyl-4-phenylhex-5-en-3-ol

C15H22O — CID 102279289

IUPAC(3R,4R)-2,2,3-trimethyl-4-phenylhex-5-en-3-ol
SMILESC=C[C@H](c1ccccc1)[C@@](C)(O)C(C)(C)C
InChIInChI=1S/C15H22O/c1-6-13(12-10-8-7-9-11-12)15(5,16)14(2,3)4/h6-11,13,16H,1H2,2-5H3/t13-,15-/m1/s1
InChIKeyJMVRVRSLTISKRQ-UKRRQHHQSA-N
MW218.34 g/mol
LogP3.75
Rot. Bonds3

About (3R,4R)-2,2,3-trimethyl-4-phenylhex-5-en-3-ol

(3R,4R)-2,2,3-trimethyl-4-phenylhex-5-en-3-ol (PubChem CID 102279289) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is (3R,4R)-2,2,3-trimethyl-4-phenylhex-5-en-3-ol.

Molecular Properties

Compound Name(3R,4R)-2,2,3-trimethyl-4-phenylhex-5-en-3-ol
PubChem CID102279289
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name(3R,4R)-2,2,3-trimethyl-4-phenylhex-5-en-3-ol
SMILESC=C[C@H](c1ccccc1)[C@@](C)(O)C(C)(C)C
InChIInChI=1S/C15H22O/c1-6-13(12-10-8-7-9-11-12)15(5,16)14(2,3)4/h6-11,13,16H,1H2,2-5H3/t13-,15-/m1/s1
InChIKeyJMVRVRSLTISKRQ-UKRRQHHQSA-N
XLogP3.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S,3S)-2,3-diphenylpent-4-en-2-ol
CID 11651629
(2S,3R)-2-cyclopropyl-3-phenylpent-4-en-2-ol
CID 122546090
1,1,1-trichlorobut-3-en-2-ylbenzene
CID 71393559
(1R,2S)-2,3,3-trimethyl-1-phenylbutane-1,2-diol
CID 10774737
ethyl 2-hydroxy-2-methyl-3-phenylpent-4-enoate
CID 11107268
2-hydroxy-1,2,3-triphenylpent-4-en-1-one
CID 11370873
(2R,3R)-2-hydroxy-1,2,3-triphenylpent-4-en-1-one
CID 134955660
N-(2,2-dimethyl-3,4-diphenylhex-5-en-3-yl)benzamide
CID 175544554
[(1R,2S)-1-ethenyl-2-phenylbut-3-enyl]benzene
CID 12573330
tert-butyl 2-amino-3-phenylpent-4-enoate
CID 154715254
2,3-dimethyl-1,1-diphenylbutane-2,3-diol
CID 141069653
(1,1-difluoro-2-phenylbut-3-enyl)sulfanylbenzene
CID 102528016

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-2,2,3-trimethyl-4-phenylhex-5-en-3-ol?
The IUPAC name of (3R,4R)-2,2,3-trimethyl-4-phenylhex-5-en-3-ol (CID 102279289) is (3R,4R)-2,2,3-trimethyl-4-phenylhex-5-en-3-ol.
What is the SMILES notation for (3R,4R)-2,2,3-trimethyl-4-phenylhex-5-en-3-ol?
The canonical SMILES for (3R,4R)-2,2,3-trimethyl-4-phenylhex-5-en-3-ol is C=C[C@H](c1ccccc1)[C@@](C)(O)C(C)(C)C.
What is the InChIKey of (3R,4R)-2,2,3-trimethyl-4-phenylhex-5-en-3-ol?
The InChIKey is JMVRVRSLTISKRQ-UKRRQHHQSA-N. The full InChI is InChI=1S/C15H22O/c1-6-13(12-10-8-7-9-11-12)15(5,16)14(2,3)4/h6-11,13,16H,1H2,2-5H3/t13-,15-/m1/s1.
What are the key properties of (3R,4R)-2,2,3-trimethyl-4-phenylhex-5-en-3-ol?
(3R,4R)-2,2,3-trimethyl-4-phenylhex-5-en-3-ol has a molecular weight of 218.34 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-2,2,3-trimethyl-4-phenylhex-5-en-3-ol is sourced from PubChem (CID 102279289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).