3-[4-[(1-methoxycyclopropyl)methyl]phenyl]propan-1-ol

C14H20O2 — CID 117117603

IUPAC3-[4-[(1-methoxycyclopropyl)methyl]phenyl]propan-1-ol
SMILESCOC1(Cc2ccc(CCCO)cc2)CC1
InChIInChI=1S/C14H20O2/c1-16-14(8-9-14)11-13-6-4-12(5-7-13)3-2-10-15/h4-7,15H,2-3,8-11H2,1H3
InChIKeyRARLDKAIBJVOET-UHFFFAOYSA-N
MW220.31 g/mol
LogP2.33
Rot. Bonds6

About 3-[4-[(1-methoxycyclopropyl)methyl]phenyl]propan-1-ol

3-[4-[(1-methoxycyclopropyl)methyl]phenyl]propan-1-ol (PubChem CID 117117603) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 3-[4-[(1-methoxycyclopropyl)methyl]phenyl]propan-1-ol.

Molecular Properties

Compound Name3-[4-[(1-methoxycyclopropyl)methyl]phenyl]propan-1-ol
PubChem CID117117603
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name3-[4-[(1-methoxycyclopropyl)methyl]phenyl]propan-1-ol
SMILESCOC1(Cc2ccc(CCCO)cc2)CC1
InChIInChI=1S/C14H20O2/c1-16-14(8-9-14)11-13-6-4-12(5-7-13)3-2-10-15/h4-7,15H,2-3,8-11H2,1H3
InChIKeyRARLDKAIBJVOET-UHFFFAOYSA-N
XLogP2.33
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[(1-methoxycyclopropyl)methyl]phenyl]propan-1-ol
CID 117113530
3-[4-[2-(1-methoxycyclopropyl)ethyl]phenyl]propan-1-amine
CID 115113293
3-[4-[[4-(3-hydroxypropyl)phenyl]methyl]phenyl]propan-1-ol
CID 91082526
4-[(4-methoxypiperidin-4-yl)methyl]phenol
CID 105477714
1-(azidomethyl)-4-[(1-methoxycyclopropyl)methyl]benzene
CID 117109168
3-[4-(N-methylanilino)phenyl]propan-1-ol
CID 95455161
3-[4-(1,1,3,3-tetramethoxypropan-2-yl)phenyl]propan-1-ol
CID 139985917
1-[[4-[(1-methoxycyclopropyl)methyl]phenyl]methyl]piperazine
CID 117111635
3-[4-[2-[4-(3-hydroxypropyl)phenyl]propan-2-yl]phenyl]propan-1-ol
CID 54337384
2-[4-[(1-aminocyclopropyl)methyl]phenyl]ethanol
CID 117116056
dimethyl 5-(3-hydroxypropyl)-1,3-dihydroindene-2,2-dicarboxylate
CID 102101101
ethyl 1-[[4-(2-hydroxyethyl)phenyl]methyl]cyclopropane-1-carboxylate
CID 142527026

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(1-methoxycyclopropyl)methyl]phenyl]propan-1-ol?
The IUPAC name of 3-[4-[(1-methoxycyclopropyl)methyl]phenyl]propan-1-ol (CID 117117603) is 3-[4-[(1-methoxycyclopropyl)methyl]phenyl]propan-1-ol.
What is the SMILES notation for 3-[4-[(1-methoxycyclopropyl)methyl]phenyl]propan-1-ol?
The canonical SMILES for 3-[4-[(1-methoxycyclopropyl)methyl]phenyl]propan-1-ol is COC1(Cc2ccc(CCCO)cc2)CC1.
What is the InChIKey of 3-[4-[(1-methoxycyclopropyl)methyl]phenyl]propan-1-ol?
The InChIKey is RARLDKAIBJVOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-16-14(8-9-14)11-13-6-4-12(5-7-13)3-2-10-15/h4-7,15H,2-3,8-11H2,1H3.
What are the key properties of 3-[4-[(1-methoxycyclopropyl)methyl]phenyl]propan-1-ol?
3-[4-[(1-methoxycyclopropyl)methyl]phenyl]propan-1-ol has a molecular weight of 220.31 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(1-methoxycyclopropyl)methyl]phenyl]propan-1-ol is sourced from PubChem (CID 117117603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).