(1S,2R)-3-methyl-6-propan-2-ylcyclohexa-3,5-diene-1,2-diol

C10H16O2 — CID 134880251

IUPAC(1S,2R)-3-methyl-6-propan-2-ylcyclohexa-3,5-diene-1,2-diol
SMILESCC1=CC=C(C(C)C)[C@H](O)[C@@H]1O
InChIInChI=1S/C10H16O2/c1-6(2)8-5-4-7(3)9(11)10(8)12/h4-6,9-12H,1-3H3/t9-,10+/m1/s1
InChIKeyVPFUINRWASCQAW-ZJUUUORDSA-N
MW168.24 g/mol
LogP1.25
Rot. Bonds1

About (1S,2R)-3-methyl-6-propan-2-ylcyclohexa-3,5-diene-1,2-diol

(1S,2R)-3-methyl-6-propan-2-ylcyclohexa-3,5-diene-1,2-diol (PubChem CID 134880251) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (1S,2R)-3-methyl-6-propan-2-ylcyclohexa-3,5-diene-1,2-diol.

Molecular Properties

Compound Name(1S,2R)-3-methyl-6-propan-2-ylcyclohexa-3,5-diene-1,2-diol
PubChem CID134880251
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(1S,2R)-3-methyl-6-propan-2-ylcyclohexa-3,5-diene-1,2-diol
SMILESCC1=CC=C(C(C)C)[C@H](O)[C@@H]1O
InChIInChI=1S/C10H16O2/c1-6(2)8-5-4-7(3)9(11)10(8)12/h4-6,9-12H,1-3H3/t9-,10+/m1/s1
InChIKeyVPFUINRWASCQAW-ZJUUUORDSA-N
XLogP1.25
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Carveol
CID 7438
Carveol, trans-(-)-
CID 94221
Carveol, cis-(-)-
CID 330573
(+)-cis-Carveol
CID 443177
(+)-trans-Carveol
CID 443178
3-Methyl-6-(1-methylethenyl)-2-cyclohexen-1-ol
CID 527822
(-)-trans-Isopiperitenol
CID 439410
(2S,4R)-p-Mentha-1(7),5-dien-2-ol
CID 5319361
Sarcophytol A
CID 5284454
(4-Propan-2-ylcyclohexa-1,3-dien-1-yl)methanol
CID 556567
(1R,6S)-3-methyl-6-(prop-1-en-2-yl)cyclohex-2-en-1-ol
CID 11579163
p-Menth-6-en-2-ol, (2S,4S)-(+)-
CID 534485

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-3-methyl-6-propan-2-ylcyclohexa-3,5-diene-1,2-diol?
The IUPAC name of (1S,2R)-3-methyl-6-propan-2-ylcyclohexa-3,5-diene-1,2-diol (CID 134880251) is (1S,2R)-3-methyl-6-propan-2-ylcyclohexa-3,5-diene-1,2-diol.
What is the SMILES notation for (1S,2R)-3-methyl-6-propan-2-ylcyclohexa-3,5-diene-1,2-diol?
The canonical SMILES for (1S,2R)-3-methyl-6-propan-2-ylcyclohexa-3,5-diene-1,2-diol is CC1=CC=C(C(C)C)[C@H](O)[C@@H]1O.
What is the InChIKey of (1S,2R)-3-methyl-6-propan-2-ylcyclohexa-3,5-diene-1,2-diol?
The InChIKey is VPFUINRWASCQAW-ZJUUUORDSA-N. The full InChI is InChI=1S/C10H16O2/c1-6(2)8-5-4-7(3)9(11)10(8)12/h4-6,9-12H,1-3H3/t9-,10+/m1/s1.
What are the key properties of (1S,2R)-3-methyl-6-propan-2-ylcyclohexa-3,5-diene-1,2-diol?
(1S,2R)-3-methyl-6-propan-2-ylcyclohexa-3,5-diene-1,2-diol has a molecular weight of 168.24 g/mol, XLogP of 1.25, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-3-methyl-6-propan-2-ylcyclohexa-3,5-diene-1,2-diol is sourced from PubChem (CID 134880251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).