2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]propan-1-ol

C14H20O3 — CID 117345325

IUPAC2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]propan-1-ol
SMILESCOc1cc(C(C)CO)ccc1OCC1CC1
InChIInChI=1S/C14H20O3/c1-10(8-15)12-5-6-13(14(7-12)16-2)17-9-11-3-4-11/h5-7,10-11,15H,3-4,8-9H2,1-2H3
InChIKeyLTGIGHKNVJSXEE-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.58
Rot. Bonds6

About 2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]propan-1-ol

2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]propan-1-ol (PubChem CID 117345325) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]propan-1-ol.

Molecular Properties

Compound Name2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]propan-1-ol
PubChem CID117345325
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]propan-1-ol
SMILESCOc1cc(C(C)CO)ccc1OCC1CC1
InChIInChI=1S/C14H20O3/c1-10(8-15)12-5-6-13(14(7-12)16-2)17-9-11-3-4-11/h5-7,10-11,15H,3-4,8-9H2,1-2H3
InChIKeyLTGIGHKNVJSXEE-UHFFFAOYSA-N
XLogP2.58
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]propan-1-amine
CID 117343381
(1R)-1-[4-(cyclopentylmethoxy)-3-methoxyphenyl]ethanamine
CID 55191148
1-[4-(cyclopentylmethoxy)-3-methoxyphenyl]ethanamine
CID 61344621
1-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-N-methylethanamine
CID 43560128
(1S)-1-[3-methoxy-4-(oxan-4-ylmethoxy)phenyl]ethanol
CID 78931750
2-[3-methoxy-4-(thian-4-yloxy)phenyl]propan-1-ol
CID 117454015
2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]ethanol
CID 117318422
2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]propyl-phenylcarbamic acid
CID 70158615
1-[3-(cyclopropylmethoxy)-4-methoxyphenyl]but-2-yn-1-ol
CID 155366125
1-[4-(cyclopropylmethoxy)-3-(difluoromethoxy)phenyl]ethanamine
CID 126963402
2-[4-methoxy-3-(oxetan-3-yloxy)phenyl]propan-1-ol
CID 117349285
2-[3-[(dimethylamino)methyl]-4-methoxyphenyl]propan-1-ol
CID 117320432

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]propan-1-ol?
The IUPAC name of 2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]propan-1-ol (CID 117345325) is 2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]propan-1-ol.
What is the SMILES notation for 2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]propan-1-ol?
The canonical SMILES for 2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]propan-1-ol is COc1cc(C(C)CO)ccc1OCC1CC1.
What is the InChIKey of 2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]propan-1-ol?
The InChIKey is LTGIGHKNVJSXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-10(8-15)12-5-6-13(14(7-12)16-2)17-9-11-3-4-11/h5-7,10-11,15H,3-4,8-9H2,1-2H3.
What are the key properties of 2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]propan-1-ol?
2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]propan-1-ol has a molecular weight of 236.31 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]propan-1-ol is sourced from PubChem (CID 117345325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).