(1R)-3-[4-(2-hydroxyethyl)phenyl]cyclohex-2-en-1-ol

C14H18O2 — CID 92967570

IUPAC(1R)-3-[4-(2-hydroxyethyl)phenyl]cyclohex-2-en-1-ol
SMILESOCCc1ccc(C2=C[C@H](O)CCC2)cc1
InChIInChI=1S/C14H18O2/c15-9-8-11-4-6-12(7-5-11)13-2-1-3-14(16)10-13/h4-7,10,14-16H,1-3,8-9H2/t14-/m1/s1
InChIKeyYRTJDFIGZGHQFZ-CQSZACIVSA-N
MW218.30 g/mol
LogP2.15
Rot. Bonds3

About (1R)-3-[4-(2-hydroxyethyl)phenyl]cyclohex-2-en-1-ol

(1R)-3-[4-(2-hydroxyethyl)phenyl]cyclohex-2-en-1-ol (PubChem CID 92967570) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is (1R)-3-[4-(2-hydroxyethyl)phenyl]cyclohex-2-en-1-ol.

Molecular Properties

Compound Name(1R)-3-[4-(2-hydroxyethyl)phenyl]cyclohex-2-en-1-ol
PubChem CID92967570
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name(1R)-3-[4-(2-hydroxyethyl)phenyl]cyclohex-2-en-1-ol
SMILESOCCc1ccc(C2=C[C@H](O)CCC2)cc1
InChIInChI=1S/C14H18O2/c15-9-8-11-4-6-12(7-5-11)13-2-1-3-14(16)10-13/h4-7,10,14-16H,1-3,8-9H2/t14-/m1/s1
InChIKeyYRTJDFIGZGHQFZ-CQSZACIVSA-N
XLogP2.15
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-3-[4-(2-hydroxyethyl)phenyl]cyclohex-2-en-1-ol?
The IUPAC name of (1R)-3-[4-(2-hydroxyethyl)phenyl]cyclohex-2-en-1-ol (CID 92967570) is (1R)-3-[4-(2-hydroxyethyl)phenyl]cyclohex-2-en-1-ol.
What is the SMILES notation for (1R)-3-[4-(2-hydroxyethyl)phenyl]cyclohex-2-en-1-ol?
The canonical SMILES for (1R)-3-[4-(2-hydroxyethyl)phenyl]cyclohex-2-en-1-ol is OCCc1ccc(C2=C[C@H](O)CCC2)cc1.
What is the InChIKey of (1R)-3-[4-(2-hydroxyethyl)phenyl]cyclohex-2-en-1-ol?
The InChIKey is YRTJDFIGZGHQFZ-CQSZACIVSA-N. The full InChI is InChI=1S/C14H18O2/c15-9-8-11-4-6-12(7-5-11)13-2-1-3-14(16)10-13/h4-7,10,14-16H,1-3,8-9H2/t14-/m1/s1.
What are the key properties of (1R)-3-[4-(2-hydroxyethyl)phenyl]cyclohex-2-en-1-ol?
(1R)-3-[4-(2-hydroxyethyl)phenyl]cyclohex-2-en-1-ol has a molecular weight of 218.30 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3-[4-(2-hydroxyethyl)phenyl]cyclohex-2-en-1-ol is sourced from PubChem (CID 92967570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).