2-chloro-4-phenylmethoxy-1-propan-2-yloxybenzene

C16H17ClO2 — CID 50888763

IUPAC2-chloro-4-phenylmethoxy-1-propan-2-yloxybenzene
SMILESCC(C)Oc1ccc(OCc2ccccc2)cc1Cl
InChIInChI=1S/C16H17ClO2/c1-12(2)19-16-9-8-14(10-15(16)17)18-11-13-6-4-3-5-7-13/h3-10,12H,11H2,1-2H3
InChIKeyAAHSTDPKMLDMPQ-UHFFFAOYSA-N
MW276.76 g/mol
LogP4.71
Rot. Bonds5

About 2-chloro-4-phenylmethoxy-1-propan-2-yloxybenzene

2-chloro-4-phenylmethoxy-1-propan-2-yloxybenzene (PubChem CID 50888763) has the molecular formula C16H17ClO2 and a molecular weight of 276.76 g/mol. Its IUPAC name is 2-chloro-4-phenylmethoxy-1-propan-2-yloxybenzene.

Molecular Properties

Compound Name2-chloro-4-phenylmethoxy-1-propan-2-yloxybenzene
PubChem CID50888763
Molecular FormulaC16H17ClO2
Molecular Weight276.76 g/mol
Exact Mass276.09
IUPAC Name2-chloro-4-phenylmethoxy-1-propan-2-yloxybenzene
SMILESCC(C)Oc1ccc(OCc2ccccc2)cc1Cl
InChIInChI=1S/C16H17ClO2/c1-12(2)19-16-9-8-14(10-15(16)17)18-11-13-6-4-3-5-7-13/h3-10,12H,11H2,1-2H3
InChIKeyAAHSTDPKMLDMPQ-UHFFFAOYSA-N
XLogP4.71
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.76
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-1-(2-methylpropoxy)-4-phenylmethoxybenzene
CID 50888745
2-chloro-4-phenylmethoxy-1-prop-2-enoxybenzene
CID 50888850
1-butan-2-yl-2-chloro-4-phenylmethoxybenzene
CID 123587275
2-chloro-4-[(4-chloro-3-propan-2-yloxyphenyl)methoxy]phenol
CID 150703031
1-(2-chloro-5-phenylmethoxyphenyl)ethanol
CID 83988712
5-[(4-chlorophenyl)methoxy]-2-propan-2-yloxybenzoic acid
CID 141216465
2-chloro-4-(methoxymethyl)-1-phenylmethoxybenzene
CID 146035474
1-[2,5-bis(phenylmethoxy)phenyl]propan-2-amine
CID 170864797
3-chloro-N-(2-phenylethyl)-4-propan-2-yloxyaniline
CID 43727125
2-(2-chloro-4-phenylmethoxyphenyl)acetic acid
CID 4241746
2-[(2-chloro-4-propan-2-yloxyphenoxy)methyl]pyridine
CID 137421499
1-(4-phenylmethoxyphenyl)ethanethiol
CID 43124131

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-phenylmethoxy-1-propan-2-yloxybenzene?
The IUPAC name of 2-chloro-4-phenylmethoxy-1-propan-2-yloxybenzene (CID 50888763) is 2-chloro-4-phenylmethoxy-1-propan-2-yloxybenzene.
What is the SMILES notation for 2-chloro-4-phenylmethoxy-1-propan-2-yloxybenzene?
The canonical SMILES for 2-chloro-4-phenylmethoxy-1-propan-2-yloxybenzene is CC(C)Oc1ccc(OCc2ccccc2)cc1Cl.
What is the InChIKey of 2-chloro-4-phenylmethoxy-1-propan-2-yloxybenzene?
The InChIKey is AAHSTDPKMLDMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClO2/c1-12(2)19-16-9-8-14(10-15(16)17)18-11-13-6-4-3-5-7-13/h3-10,12H,11H2,1-2H3.
What are the key properties of 2-chloro-4-phenylmethoxy-1-propan-2-yloxybenzene?
2-chloro-4-phenylmethoxy-1-propan-2-yloxybenzene has a molecular weight of 276.76 g/mol, XLogP of 4.71, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-phenylmethoxy-1-propan-2-yloxybenzene is sourced from PubChem (CID 50888763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).