1-[(4R)-4-(4-methoxyphenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclohexan-1-ol

C18H26O4 — CID 134847609

IUPAC1-[(4R)-4-(4-methoxyphenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclohexan-1-ol
SMILESCOc1ccc([C@]2(C3(O)CCCCC3)COC(C)(C)O2)cc1
InChIInChI=1S/C18H26O4/c1-16(2)21-13-18(22-16,17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,19H,4-6,11-13H2,1-3H3/t18-/m0/s1
InChIKeySLQCNTGGCXXVDT-SFHVURJKSA-N
MW306.40 g/mol
LogP3.37
Rot. Bonds3

About 1-[(4R)-4-(4-methoxyphenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclohexan-1-ol

1-[(4R)-4-(4-methoxyphenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclohexan-1-ol (PubChem CID 134847609) has the molecular formula C18H26O4 and a molecular weight of 306.40 g/mol. Its IUPAC name is 1-[(4R)-4-(4-methoxyphenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(4R)-4-(4-methoxyphenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclohexan-1-ol
PubChem CID134847609
Molecular FormulaC18H26O4
Molecular Weight306.40 g/mol
Exact Mass306.18
IUPAC Name1-[(4R)-4-(4-methoxyphenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclohexan-1-ol
SMILESCOc1ccc([C@]2(C3(O)CCCCC3)COC(C)(C)O2)cc1
InChIInChI=1S/C18H26O4/c1-16(2)21-13-18(22-16,17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,19H,4-6,11-13H2,1-3H3/t18-/m0/s1
InChIKeySLQCNTGGCXXVDT-SFHVURJKSA-N
XLogP3.37
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4R)-4-(4-methoxyphenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclohexan-1-ol?
The IUPAC name of 1-[(4R)-4-(4-methoxyphenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclohexan-1-ol (CID 134847609) is 1-[(4R)-4-(4-methoxyphenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclohexan-1-ol.
What is the SMILES notation for 1-[(4R)-4-(4-methoxyphenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclohexan-1-ol?
The canonical SMILES for 1-[(4R)-4-(4-methoxyphenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclohexan-1-ol is COc1ccc([C@]2(C3(O)CCCCC3)COC(C)(C)O2)cc1.
What is the InChIKey of 1-[(4R)-4-(4-methoxyphenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclohexan-1-ol?
The InChIKey is SLQCNTGGCXXVDT-SFHVURJKSA-N. The full InChI is InChI=1S/C18H26O4/c1-16(2)21-13-18(22-16,17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,19H,4-6,11-13H2,1-3H3/t18-/m0/s1.
What are the key properties of 1-[(4R)-4-(4-methoxyphenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclohexan-1-ol?
1-[(4R)-4-(4-methoxyphenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclohexan-1-ol has a molecular weight of 306.40 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R)-4-(4-methoxyphenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclohexan-1-ol is sourced from PubChem (CID 134847609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).