2-[4-[(1-methoxycyclopropyl)methyl]phenyl]propan-1-ol

C14H20O2 — CID 117113530

IUPAC2-[4-[(1-methoxycyclopropyl)methyl]phenyl]propan-1-ol
SMILESCOC1(Cc2ccc(C(C)CO)cc2)CC1
InChIInChI=1S/C14H20O2/c1-11(10-15)13-5-3-12(4-6-13)9-14(16-2)7-8-14/h3-6,11,15H,7-10H2,1-2H3
InChIKeyMTLUNWKCJOCJDN-UHFFFAOYSA-N
MW220.31 g/mol
LogP2.50
Rot. Bonds5

About 2-[4-[(1-methoxycyclopropyl)methyl]phenyl]propan-1-ol

2-[4-[(1-methoxycyclopropyl)methyl]phenyl]propan-1-ol (PubChem CID 117113530) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 2-[4-[(1-methoxycyclopropyl)methyl]phenyl]propan-1-ol.

Molecular Properties

Compound Name2-[4-[(1-methoxycyclopropyl)methyl]phenyl]propan-1-ol
PubChem CID117113530
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name2-[4-[(1-methoxycyclopropyl)methyl]phenyl]propan-1-ol
SMILESCOC1(Cc2ccc(C(C)CO)cc2)CC1
InChIInChI=1S/C14H20O2/c1-11(10-15)13-5-3-12(4-6-13)9-14(16-2)7-8-14/h3-6,11,15H,7-10H2,1-2H3
InChIKeyMTLUNWKCJOCJDN-UHFFFAOYSA-N
XLogP2.50
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-[(1-methoxycyclopropyl)methyl]phenyl]propan-1-ol
CID 117117603
(2S)-2-[4-(hydroxymethyl)phenyl]propan-1-ol
CID 10374791
1-[3-[(1-methoxycyclopropyl)methyl]phenyl]ethanamine
CID 117110925
1-[3-[(1-methoxycyclopropyl)methyl]phenyl]propan-2-ol
CID 117114461
4-[(4-methoxypiperidin-4-yl)methyl]phenol
CID 105477714
(2R)-2-(4-fluorophenyl)propan-1-ol
CID 12969934
2-(4-iodophenyl)propan-1-ol
CID 118041609
1-(azidomethyl)-4-[(1-methoxycyclopropyl)methyl]benzene
CID 117109168
[1-[(4-propan-2-ylphenyl)methyl]cyclohexyl]methanol
CID 66024781
methyl 1-[(4-butan-2-ylphenyl)methyl]cyclobutane-1-carboxylate
CID 116929693
ethyl 2-[4-[(1-methoxycyclopropyl)methyl]phenyl]-2-oxoacetate
CID 117108894
1-[[4-(4-aminobutan-2-yl)phenyl]methyl]cyclopropan-1-ol
CID 115113530

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-methoxycyclopropyl)methyl]phenyl]propan-1-ol?
The IUPAC name of 2-[4-[(1-methoxycyclopropyl)methyl]phenyl]propan-1-ol (CID 117113530) is 2-[4-[(1-methoxycyclopropyl)methyl]phenyl]propan-1-ol.
What is the SMILES notation for 2-[4-[(1-methoxycyclopropyl)methyl]phenyl]propan-1-ol?
The canonical SMILES for 2-[4-[(1-methoxycyclopropyl)methyl]phenyl]propan-1-ol is COC1(Cc2ccc(C(C)CO)cc2)CC1.
What is the InChIKey of 2-[4-[(1-methoxycyclopropyl)methyl]phenyl]propan-1-ol?
The InChIKey is MTLUNWKCJOCJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-11(10-15)13-5-3-12(4-6-13)9-14(16-2)7-8-14/h3-6,11,15H,7-10H2,1-2H3.
What are the key properties of 2-[4-[(1-methoxycyclopropyl)methyl]phenyl]propan-1-ol?
2-[4-[(1-methoxycyclopropyl)methyl]phenyl]propan-1-ol has a molecular weight of 220.31 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-methoxycyclopropyl)methyl]phenyl]propan-1-ol is sourced from PubChem (CID 117113530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).