4-methoxy-4-[3-(naphthalen-2-ylmethoxy)phenyl]cyclohexan-1-ol

C24H26O3 — CID 19899551

IUPAC4-methoxy-4-[3-(naphthalen-2-ylmethoxy)phenyl]cyclohexan-1-ol
SMILESCOC1(c2cccc(OCc3ccc4ccccc4c3)c2)CCC(O)CC1
InChIInChI=1S/C24H26O3/c1-26-24(13-11-22(25)12-14-24)21-7-4-8-23(16-21)27-17-18-9-10-19-5-2-3-6-20(19)15-18/h2-10,15-16,22,25H,11-14,17H2,1H3
InChIKeyKHXLJMGUCISJFQ-UHFFFAOYSA-N
MW362.47 g/mol
LogP5.20
Rot. Bonds5

About 4-methoxy-4-[3-(naphthalen-2-ylmethoxy)phenyl]cyclohexan-1-ol

4-methoxy-4-[3-(naphthalen-2-ylmethoxy)phenyl]cyclohexan-1-ol (PubChem CID 19899551) has the molecular formula C24H26O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is 4-methoxy-4-[3-(naphthalen-2-ylmethoxy)phenyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-methoxy-4-[3-(naphthalen-2-ylmethoxy)phenyl]cyclohexan-1-ol
PubChem CID19899551
Molecular FormulaC24H26O3
Molecular Weight362.47 g/mol
Exact Mass362.19
IUPAC Name4-methoxy-4-[3-(naphthalen-2-ylmethoxy)phenyl]cyclohexan-1-ol
SMILESCOC1(c2cccc(OCc3ccc4ccccc4c3)c2)CCC(O)CC1
InChIInChI=1S/C24H26O3/c1-26-24(13-11-22(25)12-14-24)21-7-4-8-23(16-21)27-17-18-9-10-19-5-2-3-6-20(19)15-18/h2-10,15-16,22,25H,11-14,17H2,1H3
InChIKeyKHXLJMGUCISJFQ-UHFFFAOYSA-N
XLogP5.20
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.47
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-[3-(naphthalen-2-ylmethoxy)phenyl]cyclohexan-1-ol?
The IUPAC name of 4-methoxy-4-[3-(naphthalen-2-ylmethoxy)phenyl]cyclohexan-1-ol (CID 19899551) is 4-methoxy-4-[3-(naphthalen-2-ylmethoxy)phenyl]cyclohexan-1-ol.
What is the SMILES notation for 4-methoxy-4-[3-(naphthalen-2-ylmethoxy)phenyl]cyclohexan-1-ol?
The canonical SMILES for 4-methoxy-4-[3-(naphthalen-2-ylmethoxy)phenyl]cyclohexan-1-ol is COC1(c2cccc(OCc3ccc4ccccc4c3)c2)CCC(O)CC1.
What is the InChIKey of 4-methoxy-4-[3-(naphthalen-2-ylmethoxy)phenyl]cyclohexan-1-ol?
The InChIKey is KHXLJMGUCISJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26O3/c1-26-24(13-11-22(25)12-14-24)21-7-4-8-23(16-21)27-17-18-9-10-19-5-2-3-6-20(19)15-18/h2-10,15-16,22,25H,11-14,17H2,1H3.
What are the key properties of 4-methoxy-4-[3-(naphthalen-2-ylmethoxy)phenyl]cyclohexan-1-ol?
4-methoxy-4-[3-(naphthalen-2-ylmethoxy)phenyl]cyclohexan-1-ol has a molecular weight of 362.47 g/mol, XLogP of 5.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-[3-(naphthalen-2-ylmethoxy)phenyl]cyclohexan-1-ol is sourced from PubChem (CID 19899551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).