4-[4-[2-(6-methyloxan-3-yl)ethyl]cyclohexyl]phenol

C20H30O2 — CID 143210026

IUPAC4-[4-[2-(6-methyloxan-3-yl)ethyl]cyclohexyl]phenol
SMILESCC1CCC(CCC2CCC(c3ccc(O)cc3)CC2)CO1
InChIInChI=1S/C20H30O2/c1-15-2-3-17(14-22-15)5-4-16-6-8-18(9-7-16)19-10-12-20(21)13-11-19/h10-13,15-18,21H,2-9,14H2,1H3
InChIKeyVKFQOHGLAAKYKN-UHFFFAOYSA-N
MW302.46 g/mol
LogP5.26
Rot. Bonds4

About 4-[4-[2-(6-methyloxan-3-yl)ethyl]cyclohexyl]phenol

4-[4-[2-(6-methyloxan-3-yl)ethyl]cyclohexyl]phenol (PubChem CID 143210026) has the molecular formula C20H30O2 and a molecular weight of 302.46 g/mol. Its IUPAC name is 4-[4-[2-(6-methyloxan-3-yl)ethyl]cyclohexyl]phenol.

Molecular Properties

Compound Name4-[4-[2-(6-methyloxan-3-yl)ethyl]cyclohexyl]phenol
PubChem CID143210026
Molecular FormulaC20H30O2
Molecular Weight302.46 g/mol
Exact Mass302.22
IUPAC Name4-[4-[2-(6-methyloxan-3-yl)ethyl]cyclohexyl]phenol
SMILESCC1CCC(CCC2CCC(c3ccc(O)cc3)CC2)CO1
InChIInChI=1S/C20H30O2/c1-15-2-3-17(14-22-15)5-4-16-6-8-18(9-7-16)19-10-12-20(21)13-11-19/h10-13,15-18,21H,2-9,14H2,1H3
InChIKeyVKFQOHGLAAKYKN-UHFFFAOYSA-N
XLogP5.26
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.46
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(6-methyloxan-3-yl)ethyl]cyclohexyl]phenol?
The IUPAC name of 4-[4-[2-(6-methyloxan-3-yl)ethyl]cyclohexyl]phenol (CID 143210026) is 4-[4-[2-(6-methyloxan-3-yl)ethyl]cyclohexyl]phenol.
What is the SMILES notation for 4-[4-[2-(6-methyloxan-3-yl)ethyl]cyclohexyl]phenol?
The canonical SMILES for 4-[4-[2-(6-methyloxan-3-yl)ethyl]cyclohexyl]phenol is CC1CCC(CCC2CCC(c3ccc(O)cc3)CC2)CO1.
What is the InChIKey of 4-[4-[2-(6-methyloxan-3-yl)ethyl]cyclohexyl]phenol?
The InChIKey is VKFQOHGLAAKYKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30O2/c1-15-2-3-17(14-22-15)5-4-16-6-8-18(9-7-16)19-10-12-20(21)13-11-19/h10-13,15-18,21H,2-9,14H2,1H3.
What are the key properties of 4-[4-[2-(6-methyloxan-3-yl)ethyl]cyclohexyl]phenol?
4-[4-[2-(6-methyloxan-3-yl)ethyl]cyclohexyl]phenol has a molecular weight of 302.46 g/mol, XLogP of 5.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(6-methyloxan-3-yl)ethyl]cyclohexyl]phenol is sourced from PubChem (CID 143210026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).