[4-cyclobutyl-3-(ethoxymethyl)phenyl]methanol

C14H20O2 — CID 138614405

IUPAC[4-cyclobutyl-3-(ethoxymethyl)phenyl]methanol
SMILESCCOCc1cc(CO)ccc1C1CCC1
InChIInChI=1S/C14H20O2/c1-2-16-10-13-8-11(9-15)6-7-14(13)12-4-3-5-12/h6-8,12,15H,2-5,9-10H2,1H3
InChIKeyXJDKHYCLSOTUMZ-UHFFFAOYSA-N
MW220.31 g/mol
LogP2.98
Rot. Bonds5

About [4-cyclobutyl-3-(ethoxymethyl)phenyl]methanol

[4-cyclobutyl-3-(ethoxymethyl)phenyl]methanol (PubChem CID 138614405) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is [4-cyclobutyl-3-(ethoxymethyl)phenyl]methanol.

Molecular Properties

Compound Name[4-cyclobutyl-3-(ethoxymethyl)phenyl]methanol
PubChem CID138614405
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name[4-cyclobutyl-3-(ethoxymethyl)phenyl]methanol
SMILESCCOCc1cc(CO)ccc1C1CCC1
InChIInChI=1S/C14H20O2/c1-2-16-10-13-8-11(9-15)6-7-14(13)12-4-3-5-12/h6-8,12,15H,2-5,9-10H2,1H3
InChIKeyXJDKHYCLSOTUMZ-UHFFFAOYSA-N
XLogP2.98
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 144930453
[4-cyclohexyl-3-(dimethylamino)phenyl]methanol
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[3-(2-ethoxyethoxymethyl)-4-methoxyphenyl]methanol
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[3-ethyl-4-(oxolan-2-yl)phenyl]methanol
CID 123620746
[3-(cyclopropylmethoxymethyl)-4-methoxyphenyl]methanol
CID 62017661
[4-[4-(ethoxymethyl)phenyl]phenyl]methanol
CID 123162407
2-cyclohexyl-4,6-bis[[3-ethoxy-4-hydroxy-5-[(4-hydroxyphenyl)methyl]phenyl]methyl]phenol
CID 23290610
2-(ethoxymethyl)-4-[(4-hydroxyphenyl)methyl]phenol
CID 155543166
[5-[4-(hydroxymethyl)phenyl]-2-(4-methylcyclohexyl)phenyl]methyl 2-methylprop-2-enoate
CID 145122339
2-[2-ethoxy-4-(hydroxymethyl)phenoxy]cyclopentan-1-ol
CID 60883957
[3-(3-methoxypropyl)-4-(4-methylcyclohexyl)phenyl]methanol;2-methylprop-2-enal
CID 145121920

Frequently Asked Questions

What is the IUPAC name of [4-cyclobutyl-3-(ethoxymethyl)phenyl]methanol?
The IUPAC name of [4-cyclobutyl-3-(ethoxymethyl)phenyl]methanol (CID 138614405) is [4-cyclobutyl-3-(ethoxymethyl)phenyl]methanol.
What is the SMILES notation for [4-cyclobutyl-3-(ethoxymethyl)phenyl]methanol?
The canonical SMILES for [4-cyclobutyl-3-(ethoxymethyl)phenyl]methanol is CCOCc1cc(CO)ccc1C1CCC1.
What is the InChIKey of [4-cyclobutyl-3-(ethoxymethyl)phenyl]methanol?
The InChIKey is XJDKHYCLSOTUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-2-16-10-13-8-11(9-15)6-7-14(13)12-4-3-5-12/h6-8,12,15H,2-5,9-10H2,1H3.
What are the key properties of [4-cyclobutyl-3-(ethoxymethyl)phenyl]methanol?
[4-cyclobutyl-3-(ethoxymethyl)phenyl]methanol has a molecular weight of 220.31 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-cyclobutyl-3-(ethoxymethyl)phenyl]methanol is sourced from PubChem (CID 138614405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).