methanol;2-phenylmethoxybicyclo[3.1.0]hexa-1,3,5-triene

C14H14O2 — CID 174530188

IUPACmethanol;2-phenylmethoxybicyclo[3.1.0]hexa-1,3,5-triene
SMILESCO.c1ccc(COc2ccc3cc2-3)cc1
InChIInChI=1S/C13H10O.CH4O/c1-2-4-10(5-3-1)9-14-13-7-6-11-8-12(11)13;1-2/h1-8H,9H2;2H,1H3
InChIKeyILAFSNCODLMROZ-UHFFFAOYSA-N
MW214.26 g/mol
LogP2.85
Rot. Bonds3

About methanol;2-phenylmethoxybicyclo[3.1.0]hexa-1,3,5-triene

methanol;2-phenylmethoxybicyclo[3.1.0]hexa-1,3,5-triene (PubChem CID 174530188) has the molecular formula C14H14O2 and a molecular weight of 214.26 g/mol. Its IUPAC name is methanol;2-phenylmethoxybicyclo[3.1.0]hexa-1,3,5-triene.

Molecular Properties

Compound Namemethanol;2-phenylmethoxybicyclo[3.1.0]hexa-1,3,5-triene
PubChem CID174530188
Molecular FormulaC14H14O2
Molecular Weight214.26 g/mol
Exact Mass214.10
IUPAC Namemethanol;2-phenylmethoxybicyclo[3.1.0]hexa-1,3,5-triene
SMILESCO.c1ccc(COc2ccc3cc2-3)cc1
InChIInChI=1S/C13H10O.CH4O/c1-2-4-10(5-3-1)9-14-13-7-6-11-8-12(11)13;1-2/h1-8H,9H2;2H,1H3
InChIKeyILAFSNCODLMROZ-UHFFFAOYSA-N
XLogP2.85
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethanamine;2-phenylmethoxybicyclo[3.1.0]hexa-1,3,5-triene
CID 174428998
(3-phenyl-4-phenylmethoxyphenyl)methanol
CID 164896135
3-(3,4-dimethoxyphenyl)-4-phenylmethoxyaniline
CID 169408827
4-[4-(3-amino-4-phenylmethoxyphenyl)-2,5-dimethoxyphenyl]phenol
CID 23538933
5-phenyl-2-phenylmethoxyphenol
CID 11994792
2-chloro-5-(2-phenylmethoxyphenyl)phenol
CID 53221551
2-ethyl-4-(2-phenylmethoxyphenyl)benzoic acid
CID 155988744
2-methyl-4-(4-methylphenyl)-1-phenylmethoxybenzene
CID 142190093
4-bromo-2-(4-methylsulfonylphenyl)-1-phenylmethoxybenzene
CID 170459918
4-ethenyl-2-(3-methylphenyl)-1-phenylmethoxybenzene
CID 172879772
2-fluoro-4-(2-phenylmethoxyphenyl)benzoic acid
CID 53228660
4-[2,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]-4-(4-hydroxyphenyl)phenyl]phenol
CID 102320796

Frequently Asked Questions

What is the IUPAC name of methanol;2-phenylmethoxybicyclo[3.1.0]hexa-1,3,5-triene?
The IUPAC name of methanol;2-phenylmethoxybicyclo[3.1.0]hexa-1,3,5-triene (CID 174530188) is methanol;2-phenylmethoxybicyclo[3.1.0]hexa-1,3,5-triene.
What is the SMILES notation for methanol;2-phenylmethoxybicyclo[3.1.0]hexa-1,3,5-triene?
The canonical SMILES for methanol;2-phenylmethoxybicyclo[3.1.0]hexa-1,3,5-triene is CO.c1ccc(COc2ccc3cc2-3)cc1.
What is the InChIKey of methanol;2-phenylmethoxybicyclo[3.1.0]hexa-1,3,5-triene?
The InChIKey is ILAFSNCODLMROZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O.CH4O/c1-2-4-10(5-3-1)9-14-13-7-6-11-8-12(11)13;1-2/h1-8H,9H2;2H,1H3.
What are the key properties of methanol;2-phenylmethoxybicyclo[3.1.0]hexa-1,3,5-triene?
methanol;2-phenylmethoxybicyclo[3.1.0]hexa-1,3,5-triene has a molecular weight of 214.26 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;2-phenylmethoxybicyclo[3.1.0]hexa-1,3,5-triene is sourced from PubChem (CID 174530188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).