(3-methoxy-2-pentan-2-yloxyphenyl)methanol

C13H20O3 — CID 107892192

IUPAC(3-methoxy-2-pentan-2-yloxyphenyl)methanol
SMILESCCCC(C)Oc1c(CO)cccc1OC
InChIInChI=1S/C13H20O3/c1-4-6-10(2)16-13-11(9-14)7-5-8-12(13)15-3/h5,7-8,10,14H,4,6,9H2,1-3H3
InChIKeyYIMHHQGFSQRDFW-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.75
Rot. Bonds6

About (3-methoxy-2-pentan-2-yloxyphenyl)methanol

(3-methoxy-2-pentan-2-yloxyphenyl)methanol (PubChem CID 107892192) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is (3-methoxy-2-pentan-2-yloxyphenyl)methanol.

Molecular Properties

Compound Name(3-methoxy-2-pentan-2-yloxyphenyl)methanol
PubChem CID107892192
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name(3-methoxy-2-pentan-2-yloxyphenyl)methanol
SMILESCCCC(C)Oc1c(CO)cccc1OC
InChIInChI=1S/C13H20O3/c1-4-6-10(2)16-13-11(9-14)7-5-8-12(13)15-3/h5,7-8,10,14H,4,6,9H2,1-3H3
InChIKeyYIMHHQGFSQRDFW-UHFFFAOYSA-N
XLogP2.75
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-fluoro-2-pentan-2-yloxyphenyl)methanol
CID 107892337
N-ethyl-2-[2-(hydroxymethyl)-6-methoxyphenoxy]propanamide
CID 43471524
(2-butan-2-yloxy-3-methoxyphenyl)methanamine
CID 43471450
(E)-3-(3-methoxy-2-pentan-2-yloxyphenyl)prop-2-enoic acid
CID 107890412
(3-methoxy-2-nonoxyphenyl)methanol
CID 43471510
2-[(2-butan-2-yloxy-3-methoxyphenyl)methylamino]butan-1-ol
CID 54849236
3-(2,3-dimethoxyphenoxy)butan-1-amine
CID 112508081
[2-(2,2-difluoroethoxy)-3-methoxyphenyl]methanol
CID 60922673
(1,5-dimethoxynaphthalen-2-yl)methanol
CID 117310761
[2-(cyclopropylmethoxy)-3-methoxyphenyl]methanol
CID 43560490
(3-chloro-5-methoxy-4-pentan-2-yloxyphenyl)methanol
CID 114013408
(2-bromo-3-methoxyphenyl)methanol
CID 54103130

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-2-pentan-2-yloxyphenyl)methanol?
The IUPAC name of (3-methoxy-2-pentan-2-yloxyphenyl)methanol (CID 107892192) is (3-methoxy-2-pentan-2-yloxyphenyl)methanol.
What is the SMILES notation for (3-methoxy-2-pentan-2-yloxyphenyl)methanol?
The canonical SMILES for (3-methoxy-2-pentan-2-yloxyphenyl)methanol is CCCC(C)Oc1c(CO)cccc1OC.
What is the InChIKey of (3-methoxy-2-pentan-2-yloxyphenyl)methanol?
The InChIKey is YIMHHQGFSQRDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3/c1-4-6-10(2)16-13-11(9-14)7-5-8-12(13)15-3/h5,7-8,10,14H,4,6,9H2,1-3H3.
What are the key properties of (3-methoxy-2-pentan-2-yloxyphenyl)methanol?
(3-methoxy-2-pentan-2-yloxyphenyl)methanol has a molecular weight of 224.30 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-2-pentan-2-yloxyphenyl)methanol is sourced from PubChem (CID 107892192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).