[4-methoxy-3-(4-methylpentan-2-yloxymethyl)phenyl]methanol

C15H24O3 — CID 62019700

IUPAC[4-methoxy-3-(4-methylpentan-2-yloxymethyl)phenyl]methanol
SMILESCOc1ccc(CO)cc1COC(C)CC(C)C
InChIInChI=1S/C15H24O3/c1-11(2)7-12(3)18-10-14-8-13(9-16)5-6-15(14)17-4/h5-6,8,11-12,16H,7,9-10H2,1-4H3
InChIKeyMOQUKHBOBHJZKE-UHFFFAOYSA-N
MW252.35 g/mol
LogP3.14
Rot. Bonds7

About [4-methoxy-3-(4-methylpentan-2-yloxymethyl)phenyl]methanol

[4-methoxy-3-(4-methylpentan-2-yloxymethyl)phenyl]methanol (PubChem CID 62019700) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is [4-methoxy-3-(4-methylpentan-2-yloxymethyl)phenyl]methanol.

Molecular Properties

Compound Name[4-methoxy-3-(4-methylpentan-2-yloxymethyl)phenyl]methanol
PubChem CID62019700
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name[4-methoxy-3-(4-methylpentan-2-yloxymethyl)phenyl]methanol
SMILESCOc1ccc(CO)cc1COC(C)CC(C)C
InChIInChI=1S/C15H24O3/c1-11(2)7-12(3)18-10-14-8-13(9-16)5-6-15(14)17-4/h5-6,8,11-12,16H,7,9-10H2,1-4H3
InChIKeyMOQUKHBOBHJZKE-UHFFFAOYSA-N
XLogP3.14
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-methoxy-3-(propan-2-yloxymethyl)phenyl]methanol
CID 62019697
N-[[3-(butan-2-yloxymethyl)-4-methoxyphenyl]methyl]ethanamine
CID 62018205
[3-(cycloheptyloxymethyl)-4-methoxyphenyl]methanol
CID 62018226
[3-(2-ethoxyethoxymethyl)-4-methoxyphenyl]methanol
CID 62019338
[3-(cyclopropylmethoxymethyl)-4-methoxyphenyl]methanol
CID 62017661
[3-[(3,5-difluorophenoxy)methyl]-4-methoxyphenyl]methanol
CID 62785626
[3-[[2-(dimethylamino)ethyl-(2-methylpropyl)amino]methyl]-4-methoxyphenyl]methanol
CID 62019689
[3-[(2,6-difluorophenoxy)methyl]-4-methoxyphenyl]methanol
CID 81269477
2-methoxy-4-(4-methylpentan-2-yloxymethyl)benzonitrile
CID 106788539
[3-[5-(hydroxymethyl)-2-methoxyphenyl]-4-methoxyphenyl]methanol
CID 642903
[2-methoxy-5-(methoxycarbonyloxymethyl)phenyl]methyl methyl carbonate
CID 58444255
(3-butan-2-yloxy-4-methoxyphenyl)methanol
CID 43209251

Frequently Asked Questions

What is the IUPAC name of [4-methoxy-3-(4-methylpentan-2-yloxymethyl)phenyl]methanol?
The IUPAC name of [4-methoxy-3-(4-methylpentan-2-yloxymethyl)phenyl]methanol (CID 62019700) is [4-methoxy-3-(4-methylpentan-2-yloxymethyl)phenyl]methanol.
What is the SMILES notation for [4-methoxy-3-(4-methylpentan-2-yloxymethyl)phenyl]methanol?
The canonical SMILES for [4-methoxy-3-(4-methylpentan-2-yloxymethyl)phenyl]methanol is COc1ccc(CO)cc1COC(C)CC(C)C.
What is the InChIKey of [4-methoxy-3-(4-methylpentan-2-yloxymethyl)phenyl]methanol?
The InChIKey is MOQUKHBOBHJZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3/c1-11(2)7-12(3)18-10-14-8-13(9-16)5-6-15(14)17-4/h5-6,8,11-12,16H,7,9-10H2,1-4H3.
What are the key properties of [4-methoxy-3-(4-methylpentan-2-yloxymethyl)phenyl]methanol?
[4-methoxy-3-(4-methylpentan-2-yloxymethyl)phenyl]methanol has a molecular weight of 252.35 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-3-(4-methylpentan-2-yloxymethyl)phenyl]methanol is sourced from PubChem (CID 62019700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).