[4-methoxy-2-(2-propan-2-yloxyethoxy)phenyl]methanol

C13H20O4 — CID 54957551

IUPAC[4-methoxy-2-(2-propan-2-yloxyethoxy)phenyl]methanol
SMILESCOc1ccc(CO)c(OCCOC(C)C)c1
InChIInChI=1S/C13H20O4/c1-10(2)16-6-7-17-13-8-12(15-3)5-4-11(13)9-14/h4-5,8,10,14H,6-7,9H2,1-3H3
InChIKeySBCXSHQVQUAYMV-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.99
Rot. Bonds7

About [4-methoxy-2-(2-propan-2-yloxyethoxy)phenyl]methanol

[4-methoxy-2-(2-propan-2-yloxyethoxy)phenyl]methanol (PubChem CID 54957551) has the molecular formula C13H20O4 and a molecular weight of 240.30 g/mol. Its IUPAC name is [4-methoxy-2-(2-propan-2-yloxyethoxy)phenyl]methanol.

Molecular Properties

Compound Name[4-methoxy-2-(2-propan-2-yloxyethoxy)phenyl]methanol
PubChem CID54957551
Molecular FormulaC13H20O4
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Name[4-methoxy-2-(2-propan-2-yloxyethoxy)phenyl]methanol
SMILESCOc1ccc(CO)c(OCCOC(C)C)c1
InChIInChI=1S/C13H20O4/c1-10(2)16-6-7-17-13-8-12(15-3)5-4-11(13)9-14/h4-5,8,10,14H,6-7,9H2,1-3H3
InChIKeySBCXSHQVQUAYMV-UHFFFAOYSA-N
XLogP1.99
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(chloromethyl)-4-methoxy-2-(2-propan-2-yloxyethoxy)benzene
CID 54958015
(4-methoxy-2-propan-2-yloxyphenyl)methanol
CID 61267391
(2-ethoxy-4-methoxyphenyl)methanol
CID 61267380
N-[[4-methoxy-2-(2-propan-2-yloxyethoxy)phenyl]methyl]cyclopropanamine
CID 61484961
(2-docosoxy-4-methoxyphenyl)methanol
CID 53257210
[2-(2-propan-2-yloxyethoxy)phenyl]methanol
CID 28945937
[2-(2,2-difluoroethoxy)-4-methoxyphenyl]methanol
CID 61269046
3-[2-(hydroxymethyl)-5-methoxyphenoxy]-N,N-dimethylpropanamide
CID 61269047
[4-methoxy-2-(2-pyridin-4-ylethoxy)phenyl]methanol
CID 61268316
(2-hept-6-enoxy-4-methoxyphenyl)methanol
CID 107007477
N-[[5-methoxy-2-(2-propan-2-yloxyethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63061280
4-[2-(hydroxymethyl)-5-methoxyphenoxy]-2,2-dimethylbutanenitrile
CID 65253720

Frequently Asked Questions

What is the IUPAC name of [4-methoxy-2-(2-propan-2-yloxyethoxy)phenyl]methanol?
The IUPAC name of [4-methoxy-2-(2-propan-2-yloxyethoxy)phenyl]methanol (CID 54957551) is [4-methoxy-2-(2-propan-2-yloxyethoxy)phenyl]methanol.
What is the SMILES notation for [4-methoxy-2-(2-propan-2-yloxyethoxy)phenyl]methanol?
The canonical SMILES for [4-methoxy-2-(2-propan-2-yloxyethoxy)phenyl]methanol is COc1ccc(CO)c(OCCOC(C)C)c1.
What is the InChIKey of [4-methoxy-2-(2-propan-2-yloxyethoxy)phenyl]methanol?
The InChIKey is SBCXSHQVQUAYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O4/c1-10(2)16-6-7-17-13-8-12(15-3)5-4-11(13)9-14/h4-5,8,10,14H,6-7,9H2,1-3H3.
What are the key properties of [4-methoxy-2-(2-propan-2-yloxyethoxy)phenyl]methanol?
[4-methoxy-2-(2-propan-2-yloxyethoxy)phenyl]methanol has a molecular weight of 240.30 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-2-(2-propan-2-yloxyethoxy)phenyl]methanol is sourced from PubChem (CID 54957551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).