ethane;5-methyl-2-(3-methyl-6-propan-2-ylcyclohex-3-en-1-yl)benzene-1,3-diol

C19H30O2 — CID 155691909

IUPACethane;5-methyl-2-(3-methyl-6-propan-2-ylcyclohex-3-en-1-yl)benzene-1,3-diol
SMILESCC.CC1=CCC(C(C)C)C(c2c(O)cc(C)cc2O)C1
InChIInChI=1S/C17H24O2.C2H6/c1-10(2)13-6-5-11(3)7-14(13)17-15(18)8-12(4)9-16(17)19;1-2/h5,8-10,13-14,18-19H,6-7H2,1-4H3;1-2H3
InChIKeyFNSQAAWNTCXGMB-UHFFFAOYSA-N
MW290.45 g/mol
LogP5.53
Rot. Bonds2

About ethane;5-methyl-2-(3-methyl-6-propan-2-ylcyclohex-3-en-1-yl)benzene-1,3-diol

ethane;5-methyl-2-(3-methyl-6-propan-2-ylcyclohex-3-en-1-yl)benzene-1,3-diol (PubChem CID 155691909) has the molecular formula C19H30O2 and a molecular weight of 290.45 g/mol. Its IUPAC name is ethane;5-methyl-2-(3-methyl-6-propan-2-ylcyclohex-3-en-1-yl)benzene-1,3-diol.

Molecular Properties

Compound Nameethane;5-methyl-2-(3-methyl-6-propan-2-ylcyclohex-3-en-1-yl)benzene-1,3-diol
PubChem CID155691909
Molecular FormulaC19H30O2
Molecular Weight290.45 g/mol
Exact Mass290.22
IUPAC Nameethane;5-methyl-2-(3-methyl-6-propan-2-ylcyclohex-3-en-1-yl)benzene-1,3-diol
SMILESCC.CC1=CCC(C(C)C)C(c2c(O)cc(C)cc2O)C1
InChIInChI=1S/C17H24O2.C2H6/c1-10(2)13-6-5-11(3)7-14(13)17-15(18)8-12(4)9-16(17)19;1-2/h5,8-10,13-14,18-19H,6-7H2,1-4H3;1-2H3
InChIKeyFNSQAAWNTCXGMB-UHFFFAOYSA-N
XLogP5.53
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.45
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-2-(3-methyl-6-propan-2-ylcyclohex-3-en-1-yl)benzene-1,3-diol?
The IUPAC name of ethane;5-methyl-2-(3-methyl-6-propan-2-ylcyclohex-3-en-1-yl)benzene-1,3-diol (CID 155691909) is ethane;5-methyl-2-(3-methyl-6-propan-2-ylcyclohex-3-en-1-yl)benzene-1,3-diol.
What is the SMILES notation for ethane;5-methyl-2-(3-methyl-6-propan-2-ylcyclohex-3-en-1-yl)benzene-1,3-diol?
The canonical SMILES for ethane;5-methyl-2-(3-methyl-6-propan-2-ylcyclohex-3-en-1-yl)benzene-1,3-diol is CC.CC1=CCC(C(C)C)C(c2c(O)cc(C)cc2O)C1.
What is the InChIKey of ethane;5-methyl-2-(3-methyl-6-propan-2-ylcyclohex-3-en-1-yl)benzene-1,3-diol?
The InChIKey is FNSQAAWNTCXGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2.C2H6/c1-10(2)13-6-5-11(3)7-14(13)17-15(18)8-12(4)9-16(17)19;1-2/h5,8-10,13-14,18-19H,6-7H2,1-4H3;1-2H3.
What are the key properties of ethane;5-methyl-2-(3-methyl-6-propan-2-ylcyclohex-3-en-1-yl)benzene-1,3-diol?
ethane;5-methyl-2-(3-methyl-6-propan-2-ylcyclohex-3-en-1-yl)benzene-1,3-diol has a molecular weight of 290.45 g/mol, XLogP of 5.53, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-2-(3-methyl-6-propan-2-ylcyclohex-3-en-1-yl)benzene-1,3-diol is sourced from PubChem (CID 155691909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).