(4-tert-butylphenyl)-(4-ethoxyoxan-4-yl)methanol

C18H28O3 — CID 116754252

IUPAC(4-tert-butylphenyl)-(4-ethoxyoxan-4-yl)methanol
SMILESCCOC1(C(O)c2ccc(C(C)(C)C)cc2)CCOCC1
InChIInChI=1S/C18H28O3/c1-5-21-18(10-12-20-13-11-18)16(19)14-6-8-15(9-7-14)17(2,3)4/h6-9,16,19H,5,10-13H2,1-4H3
InChIKeyNKRPJJBDHKJLCX-UHFFFAOYSA-N
MW292.42 g/mol
LogP3.60
Rot. Bonds4

About (4-tert-butylphenyl)-(4-ethoxyoxan-4-yl)methanol

(4-tert-butylphenyl)-(4-ethoxyoxan-4-yl)methanol (PubChem CID 116754252) has the molecular formula C18H28O3 and a molecular weight of 292.42 g/mol. Its IUPAC name is (4-tert-butylphenyl)-(4-ethoxyoxan-4-yl)methanol.

Molecular Properties

Compound Name(4-tert-butylphenyl)-(4-ethoxyoxan-4-yl)methanol
PubChem CID116754252
Molecular FormulaC18H28O3
Molecular Weight292.42 g/mol
Exact Mass292.20
IUPAC Name(4-tert-butylphenyl)-(4-ethoxyoxan-4-yl)methanol
SMILESCCOC1(C(O)c2ccc(C(C)(C)C)cc2)CCOCC1
InChIInChI=1S/C18H28O3/c1-5-21-18(10-12-20-13-11-18)16(19)14-6-8-15(9-7-14)17(2,3)4/h6-9,16,19H,5,10-13H2,1-4H3
InChIKeyNKRPJJBDHKJLCX-UHFFFAOYSA-N
XLogP3.60
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-cyclopropyloxyphenyl)-(4-ethoxyoxan-4-yl)methanol
CID 114519169
(4-ethoxyoxan-4-yl)-[3-(trifluoromethyl)phenyl]methanol
CID 116754328
(1-ethoxycyclopentyl)-(4-methylphenyl)methanol
CID 116753072
(4-ethoxyoxan-4-yl)-naphthalen-1-ylmethanol
CID 116754309
(2,3-difluorophenyl)-(4-ethoxyoxan-4-yl)methanol
CID 116754234
(1-ethoxy-4-methylcyclohexyl)-(4-fluorophenyl)methanol
CID 116754846
1-(4-ethoxyoxan-4-yl)butan-1-ol
CID 116754162
(2-amino-4-methyl-3-pyridinyl)-(4-ethoxyoxan-4-yl)methanol
CID 116754132
(4-ethoxyoxan-4-yl)-phenylmethanamine
CID 116765292
2-(2-chlorophenyl)sulfanyl-1-(4-ethoxyoxan-4-yl)ethanol
CID 116779682
2-(2-bromophenyl)-1-(4-ethoxyoxan-4-yl)ethanol
CID 116754158
1-(4-ethoxyoxan-4-yl)-N-methyl-1-phenylmethanamine
CID 116765565

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl)-(4-ethoxyoxan-4-yl)methanol?
The IUPAC name of (4-tert-butylphenyl)-(4-ethoxyoxan-4-yl)methanol (CID 116754252) is (4-tert-butylphenyl)-(4-ethoxyoxan-4-yl)methanol.
What is the SMILES notation for (4-tert-butylphenyl)-(4-ethoxyoxan-4-yl)methanol?
The canonical SMILES for (4-tert-butylphenyl)-(4-ethoxyoxan-4-yl)methanol is CCOC1(C(O)c2ccc(C(C)(C)C)cc2)CCOCC1.
What is the InChIKey of (4-tert-butylphenyl)-(4-ethoxyoxan-4-yl)methanol?
The InChIKey is NKRPJJBDHKJLCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O3/c1-5-21-18(10-12-20-13-11-18)16(19)14-6-8-15(9-7-14)17(2,3)4/h6-9,16,19H,5,10-13H2,1-4H3.
What are the key properties of (4-tert-butylphenyl)-(4-ethoxyoxan-4-yl)methanol?
(4-tert-butylphenyl)-(4-ethoxyoxan-4-yl)methanol has a molecular weight of 292.42 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenyl)-(4-ethoxyoxan-4-yl)methanol is sourced from PubChem (CID 116754252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).