ethane;methane;4-(2-phenylmethoxyphenyl)cyclohexan-1-ol

C26H44O2 — CID 163370228

IUPACethane;methane;4-(2-phenylmethoxyphenyl)cyclohexan-1-ol
SMILESC.CC.CC.CC.OC1CCC(c2ccccc2OCc2ccccc2)CC1
InChIInChI=1S/C19H22O2.3C2H6.CH4/c20-17-12-10-16(11-13-17)18-8-4-5-9-19(18)21-14-15-6-2-1-3-7-15;3*1-2;/h1-9,16-17,20H,10-14H2;3*1-2H3;1H4
InChIKeyHUTBPXRAZBAAIU-UHFFFAOYSA-N
MW388.64 g/mol
LogP8.00
Rot. Bonds4

About ethane;methane;4-(2-phenylmethoxyphenyl)cyclohexan-1-ol

ethane;methane;4-(2-phenylmethoxyphenyl)cyclohexan-1-ol (PubChem CID 163370228) has the molecular formula C26H44O2 and a molecular weight of 388.64 g/mol. Its IUPAC name is ethane;methane;4-(2-phenylmethoxyphenyl)cyclohexan-1-ol.

Molecular Properties

Compound Nameethane;methane;4-(2-phenylmethoxyphenyl)cyclohexan-1-ol
PubChem CID163370228
Molecular FormulaC26H44O2
Molecular Weight388.64 g/mol
Exact Mass388.33
IUPAC Nameethane;methane;4-(2-phenylmethoxyphenyl)cyclohexan-1-ol
SMILESC.CC.CC.CC.OC1CCC(c2ccccc2OCc2ccccc2)CC1
InChIInChI=1S/C19H22O2.3C2H6.CH4/c20-17-12-10-16(11-13-17)18-8-4-5-9-19(18)21-14-15-6-2-1-3-7-15;3*1-2;/h1-9,16-17,20H,10-14H2;3*1-2H3;1H4
InChIKeyHUTBPXRAZBAAIU-UHFFFAOYSA-N
XLogP8.00
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.64
LogP ≤ 58.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;methane;4-(2-phenylmethoxyphenyl)cyclohexan-1-ol?
The IUPAC name of ethane;methane;4-(2-phenylmethoxyphenyl)cyclohexan-1-ol (CID 163370228) is ethane;methane;4-(2-phenylmethoxyphenyl)cyclohexan-1-ol.
What is the SMILES notation for ethane;methane;4-(2-phenylmethoxyphenyl)cyclohexan-1-ol?
The canonical SMILES for ethane;methane;4-(2-phenylmethoxyphenyl)cyclohexan-1-ol is C.CC.CC.CC.OC1CCC(c2ccccc2OCc2ccccc2)CC1.
What is the InChIKey of ethane;methane;4-(2-phenylmethoxyphenyl)cyclohexan-1-ol?
The InChIKey is HUTBPXRAZBAAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O2.3C2H6.CH4/c20-17-12-10-16(11-13-17)18-8-4-5-9-19(18)21-14-15-6-2-1-3-7-15;3*1-2;/h1-9,16-17,20H,10-14H2;3*1-2H3;1H4.
What are the key properties of ethane;methane;4-(2-phenylmethoxyphenyl)cyclohexan-1-ol?
ethane;methane;4-(2-phenylmethoxyphenyl)cyclohexan-1-ol has a molecular weight of 388.64 g/mol, XLogP of 8.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;4-(2-phenylmethoxyphenyl)cyclohexan-1-ol is sourced from PubChem (CID 163370228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).