4-[4-[4-[(2R)-2-phenylpropyl]phenyl]cyclohexyl]cyclohexa-1,3-dien-1-ol

C27H32O — CID 71102894

IUPAC4-[4-[4-[(2R)-2-phenylpropyl]phenyl]cyclohexyl]cyclohexa-1,3-dien-1-ol
SMILESC[C@H](Cc1ccc(C2CCC(C3=CC=C(O)CC3)CC2)cc1)c1ccccc1
InChIInChI=1S/C27H32O/c1-20(22-5-3-2-4-6-22)19-21-7-9-23(10-8-21)24-11-13-25(14-12-24)26-15-17-27(28)18-16-26/h2-10,15,17,20,24-25,28H,11-14,16,18-19H2,1H3/t20-,24?,25?/m1/s1
InChIKeyJHBVEYNJWRQXKY-NWSMCOELSA-N
MW372.55 g/mol
LogP7.47
Rot. Bonds5

About 4-[4-[4-[(2R)-2-phenylpropyl]phenyl]cyclohexyl]cyclohexa-1,3-dien-1-ol

4-[4-[4-[(2R)-2-phenylpropyl]phenyl]cyclohexyl]cyclohexa-1,3-dien-1-ol (PubChem CID 71102894) has the molecular formula C27H32O and a molecular weight of 372.55 g/mol. Its IUPAC name is 4-[4-[4-[(2R)-2-phenylpropyl]phenyl]cyclohexyl]cyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name4-[4-[4-[(2R)-2-phenylpropyl]phenyl]cyclohexyl]cyclohexa-1,3-dien-1-ol
PubChem CID71102894
Molecular FormulaC27H32O
Molecular Weight372.55 g/mol
Exact Mass372.25
IUPAC Name4-[4-[4-[(2R)-2-phenylpropyl]phenyl]cyclohexyl]cyclohexa-1,3-dien-1-ol
SMILESC[C@H](Cc1ccc(C2CCC(C3=CC=C(O)CC3)CC2)cc1)c1ccccc1
InChIInChI=1S/C27H32O/c1-20(22-5-3-2-4-6-22)19-21-7-9-23(10-8-21)24-11-13-25(14-12-24)26-15-17-27(28)18-16-26/h2-10,15,17,20,24-25,28H,11-14,16,18-19H2,1H3/t20-,24?,25?/m1/s1
InChIKeyJHBVEYNJWRQXKY-NWSMCOELSA-N
XLogP7.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.55
LogP ≤ 57.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-(4-ethoxycyclohexyl)cyclohexyl]-4-(2-phenylpropyl)benzene
CID 21052580
1,4-bis(2-phenylpropyl)benzene
CID 19376086
1,2,3-trifluoro-5-[2-[4-[4-(2-phenylpropyl)phenyl]cyclohexyl]ethyl]benzene
CID 21052402
1-ethoxy-4-[2-[4-[4-[(2R)-2-phenylpropyl]phenyl]cyclohexyl]ethyl]benzene
CID 58699027
1-[(E)-pent-3-enyl]-4-[2-[4-[4-(2-phenylpropyl)phenyl]cyclohexyl]ethyl]benzene
CID 21052664
[(2R)-1-phenylpropan-2-yl]benzene
CID 11138041
(1S)-N-[(4-cyclopropylphenyl)methyl]-1-phenylethanamine
CID 81351295
ethane;1-phenylpropan-2-ylbenzene
CID 142097323
(4-ethoxy-3,5-difluorophenyl) 4-[4-[(2R)-2-phenylpropyl]phenyl]cyclohexane-1-carboxylate
CID 58698364
[4-[(E)-pent-3-enyl]phenyl] 4-[4-(2-phenylpropyl)phenyl]cyclohexane-1-carboxylate
CID 21053086
(4-cyano-3,5-difluorophenyl) 4-[4-[(2S)-2-phenylpropyl]phenyl]cyclohexane-1-carboxylate
CID 58699457
(3,5-difluoro-4-propylphenyl) 4-[4-[(2R)-2-phenylpropyl]phenyl]cyclohexane-1-carboxylate
CID 58698280

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-[(2R)-2-phenylpropyl]phenyl]cyclohexyl]cyclohexa-1,3-dien-1-ol?
The IUPAC name of 4-[4-[4-[(2R)-2-phenylpropyl]phenyl]cyclohexyl]cyclohexa-1,3-dien-1-ol (CID 71102894) is 4-[4-[4-[(2R)-2-phenylpropyl]phenyl]cyclohexyl]cyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 4-[4-[4-[(2R)-2-phenylpropyl]phenyl]cyclohexyl]cyclohexa-1,3-dien-1-ol?
The canonical SMILES for 4-[4-[4-[(2R)-2-phenylpropyl]phenyl]cyclohexyl]cyclohexa-1,3-dien-1-ol is C[C@H](Cc1ccc(C2CCC(C3=CC=C(O)CC3)CC2)cc1)c1ccccc1.
What is the InChIKey of 4-[4-[4-[(2R)-2-phenylpropyl]phenyl]cyclohexyl]cyclohexa-1,3-dien-1-ol?
The InChIKey is JHBVEYNJWRQXKY-NWSMCOELSA-N. The full InChI is InChI=1S/C27H32O/c1-20(22-5-3-2-4-6-22)19-21-7-9-23(10-8-21)24-11-13-25(14-12-24)26-15-17-27(28)18-16-26/h2-10,15,17,20,24-25,28H,11-14,16,18-19H2,1H3/t20-,24?,25?/m1/s1.
What are the key properties of 4-[4-[4-[(2R)-2-phenylpropyl]phenyl]cyclohexyl]cyclohexa-1,3-dien-1-ol?
4-[4-[4-[(2R)-2-phenylpropyl]phenyl]cyclohexyl]cyclohexa-1,3-dien-1-ol has a molecular weight of 372.55 g/mol, XLogP of 7.47, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-[(2R)-2-phenylpropyl]phenyl]cyclohexyl]cyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 71102894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).