cis-(1S,6S)-1-(2-hydroxyethyl)-6-phenylcyclohexane-1,2-diol

C14H20O3 — CID 10561805

IUPACcis-(1S,6S)-1-(2-hydroxyethyl)-6-phenylcyclohexane-1,2-diol
SMILESOCC[C@@]1(O)C(O)CCC[C@H]1c1ccccc1
InChIInChI=1S/C14H20O3/c15-10-9-14(17)12(7-4-8-13(14)16)11-5-2-1-3-6-11/h1-3,5-6,12-13,15-17H,4,7-10H2/t12-,13?,14-/m0/s1
InChIKeyBYAIIQUTFMUHDH-HPNRGHHYSA-N
MW236.31 g/mol
LogP1.43
Rot. Bonds3

About cis-(1S,6S)-1-(2-hydroxyethyl)-6-phenylcyclohexane-1,2-diol

cis-(1S,6S)-1-(2-hydroxyethyl)-6-phenylcyclohexane-1,2-diol (PubChem CID 10561805) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is cis-(1S,6S)-1-(2-hydroxyethyl)-6-phenylcyclohexane-1,2-diol.

Molecular Properties

Compound Namecis-(1S,6S)-1-(2-hydroxyethyl)-6-phenylcyclohexane-1,2-diol
PubChem CID10561805
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Namecis-(1S,6S)-1-(2-hydroxyethyl)-6-phenylcyclohexane-1,2-diol
SMILESOCC[C@@]1(O)C(O)CCC[C@H]1c1ccccc1
InChIInChI=1S/C14H20O3/c15-10-9-14(17)12(7-4-8-13(14)16)11-5-2-1-3-6-11/h1-3,5-6,12-13,15-17H,4,7-10H2/t12-,13?,14-/m0/s1
InChIKeyBYAIIQUTFMUHDH-HPNRGHHYSA-N
XLogP1.43
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(hydroxymethyl)-4-methyl-2-phenylcyclohexyl]methanol
CID 139793925
1-methyl-2-phenylcyclopentan-1-ol
CID 102035822
(1R,8bR)-2,3,4,4a-tetrahydro-1H-biphenylene-1,8b-diol
CID 130927469
1-(2-hydroxyethyl)-2-phenylcyclopropane-1-sulfonamide
CID 174760464
[(2S)-1-(hydroxymethyl)-2-phenylcyclopropyl]methanol
CID 101480035
2-(3-phenylcyclobutyl)ethanol
CID 132580222
cis-(1R,2S)-1-[(2R)-but-3-en-2-yl]-2-phenylcyclohexan-1-ol
CID 102289513
2-[(1S,2S)-1-hydroxy-2-phenylcyclohexyl]acetic acid
CID 40501081
(1S,5R)-N,N-bis(2-hydroxyethyl)-7-phenylbicyclo[3.1.1]heptane-6-carboxamide
CID 11894536
2-phenyl-1-prop-2-ynylcyclohexan-1-ol
CID 63222408
(1-anilino-2-phenylcyclohexyl)methanol
CID 105403088
(2S,5S)-2-(2-hydroxyethyl)-5-phenylcyclohex-3-en-1-ol
CID 134980819

Frequently Asked Questions

What is the IUPAC name of cis-(1S,6S)-1-(2-hydroxyethyl)-6-phenylcyclohexane-1,2-diol?
The IUPAC name of cis-(1S,6S)-1-(2-hydroxyethyl)-6-phenylcyclohexane-1,2-diol (CID 10561805) is cis-(1S,6S)-1-(2-hydroxyethyl)-6-phenylcyclohexane-1,2-diol.
What is the SMILES notation for cis-(1S,6S)-1-(2-hydroxyethyl)-6-phenylcyclohexane-1,2-diol?
The canonical SMILES for cis-(1S,6S)-1-(2-hydroxyethyl)-6-phenylcyclohexane-1,2-diol is OCC[C@@]1(O)C(O)CCC[C@H]1c1ccccc1.
What is the InChIKey of cis-(1S,6S)-1-(2-hydroxyethyl)-6-phenylcyclohexane-1,2-diol?
The InChIKey is BYAIIQUTFMUHDH-HPNRGHHYSA-N. The full InChI is InChI=1S/C14H20O3/c15-10-9-14(17)12(7-4-8-13(14)16)11-5-2-1-3-6-11/h1-3,5-6,12-13,15-17H,4,7-10H2/t12-,13?,14-/m0/s1.
What are the key properties of cis-(1S,6S)-1-(2-hydroxyethyl)-6-phenylcyclohexane-1,2-diol?
cis-(1S,6S)-1-(2-hydroxyethyl)-6-phenylcyclohexane-1,2-diol has a molecular weight of 236.31 g/mol, XLogP of 1.43, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,6S)-1-(2-hydroxyethyl)-6-phenylcyclohexane-1,2-diol is sourced from PubChem (CID 10561805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).