3-[2-methoxy-3-(2-methylpropoxy)phenyl]propan-1-ol

C14H22O3 — CID 82161152

IUPAC3-[2-methoxy-3-(2-methylpropoxy)phenyl]propan-1-ol
SMILESCOc1c(CCCO)cccc1OCC(C)C
InChIInChI=1S/C14H22O3/c1-11(2)10-17-13-8-4-6-12(7-5-9-15)14(13)16-3/h4,6,8,11,15H,5,7,9-10H2,1-3H3
InChIKeyXHEMXNHTBXVYOW-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.65
Rot. Bonds7

About 3-[2-methoxy-3-(2-methylpropoxy)phenyl]propan-1-ol

3-[2-methoxy-3-(2-methylpropoxy)phenyl]propan-1-ol (PubChem CID 82161152) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-[2-methoxy-3-(2-methylpropoxy)phenyl]propan-1-ol.

Molecular Properties

Compound Name3-[2-methoxy-3-(2-methylpropoxy)phenyl]propan-1-ol
PubChem CID82161152
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name3-[2-methoxy-3-(2-methylpropoxy)phenyl]propan-1-ol
SMILESCOc1c(CCCO)cccc1OCC(C)C
InChIInChI=1S/C14H22O3/c1-11(2)10-17-13-8-4-6-12(7-5-9-15)14(13)16-3/h4,6,8,11,15H,5,7,9-10H2,1-3H3
InChIKeyXHEMXNHTBXVYOW-UHFFFAOYSA-N
XLogP2.65
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-methoxy-3-(2-methylpropoxy)phenyl]-2-oxopropanoic acid
CID 82161293
2-methoxy-3-(2-methylpropoxy)benzoic acid
CID 82161609
3-(2,3,4-trimethoxyphenyl)propan-1-ol
CID 11790895
4-[2-(2-methylpropoxy)phenyl]butan-1-amine
CID 83932463
1-(3-bromopropyl)-3-(difluoromethoxy)-2-methoxybenzene
CID 118842066
2-[[3-methoxy-2-(2-methylpropoxy)phenyl]methylamino]butan-1-ol
CID 54849183
CID 123645398
CID 123645398
5-[2-methoxy-6-[(propan-2-ylamino)methyl]phenoxy]pentan-1-ol
CID 62228603
3-(2,3-dimethoxyphenyl)-N-methylpropan-1-amine
CID 54776109
1-(2-methoxy-3-pentoxyphenyl)propan-2-ol
CID 82160918
4-(2,3-dimethoxyphenyl)butanoic acid;hydrochloride
CID 139764480
7-[2-chloro-3-(2-methylpropoxy)phenyl]heptan-2-one
CID 155188411

Frequently Asked Questions

What is the IUPAC name of 3-[2-methoxy-3-(2-methylpropoxy)phenyl]propan-1-ol?
The IUPAC name of 3-[2-methoxy-3-(2-methylpropoxy)phenyl]propan-1-ol (CID 82161152) is 3-[2-methoxy-3-(2-methylpropoxy)phenyl]propan-1-ol.
What is the SMILES notation for 3-[2-methoxy-3-(2-methylpropoxy)phenyl]propan-1-ol?
The canonical SMILES for 3-[2-methoxy-3-(2-methylpropoxy)phenyl]propan-1-ol is COc1c(CCCO)cccc1OCC(C)C.
What is the InChIKey of 3-[2-methoxy-3-(2-methylpropoxy)phenyl]propan-1-ol?
The InChIKey is XHEMXNHTBXVYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3/c1-11(2)10-17-13-8-4-6-12(7-5-9-15)14(13)16-3/h4,6,8,11,15H,5,7,9-10H2,1-3H3.
What are the key properties of 3-[2-methoxy-3-(2-methylpropoxy)phenyl]propan-1-ol?
3-[2-methoxy-3-(2-methylpropoxy)phenyl]propan-1-ol has a molecular weight of 238.33 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methoxy-3-(2-methylpropoxy)phenyl]propan-1-ol is sourced from PubChem (CID 82161152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).