(4-aminophenyl)-(3-propan-2-yloxyphenyl)methanol

C16H19NO2 — CID 106695525

IUPAC(4-aminophenyl)-(3-propan-2-yloxyphenyl)methanol
SMILESCC(C)Oc1cccc(C(O)c2ccc(N)cc2)c1
InChIInChI=1S/C16H19NO2/c1-11(2)19-15-5-3-4-13(10-15)16(18)12-6-8-14(17)9-7-12/h3-11,16,18H,17H2,1-2H3
InChIKeyWHZRSDAGVIOXMC-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.14
Rot. Bonds4

About (4-aminophenyl)-(3-propan-2-yloxyphenyl)methanol

(4-aminophenyl)-(3-propan-2-yloxyphenyl)methanol (PubChem CID 106695525) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is (4-aminophenyl)-(3-propan-2-yloxyphenyl)methanol.

Molecular Properties

Compound Name(4-aminophenyl)-(3-propan-2-yloxyphenyl)methanol
PubChem CID106695525
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name(4-aminophenyl)-(3-propan-2-yloxyphenyl)methanol
SMILESCC(C)Oc1cccc(C(O)c2ccc(N)cc2)c1
InChIInChI=1S/C16H19NO2/c1-11(2)19-15-5-3-4-13(10-15)16(18)12-6-8-14(17)9-7-12/h3-11,16,18H,17H2,1-2H3
InChIKeyWHZRSDAGVIOXMC-UHFFFAOYSA-N
XLogP3.14
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

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2-chloro-2-(3-propan-2-yloxyphenyl)acetamide
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(5-methylfuran-2-yl)-(3-propan-2-yloxyphenyl)methanol
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(R)-(2-bromophenyl)-(3-propan-2-yloxyphenyl)methanol
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(5-fluoro-3-pyridinyl)-(3-propan-2-yloxyphenyl)methanol
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(2-bromo-3-methylphenyl)-(3-propan-2-yloxyphenyl)methanol
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Frequently Asked Questions

What is the IUPAC name of (4-aminophenyl)-(3-propan-2-yloxyphenyl)methanol?
The IUPAC name of (4-aminophenyl)-(3-propan-2-yloxyphenyl)methanol (CID 106695525) is (4-aminophenyl)-(3-propan-2-yloxyphenyl)methanol.
What is the SMILES notation for (4-aminophenyl)-(3-propan-2-yloxyphenyl)methanol?
The canonical SMILES for (4-aminophenyl)-(3-propan-2-yloxyphenyl)methanol is CC(C)Oc1cccc(C(O)c2ccc(N)cc2)c1.
What is the InChIKey of (4-aminophenyl)-(3-propan-2-yloxyphenyl)methanol?
The InChIKey is WHZRSDAGVIOXMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-11(2)19-15-5-3-4-13(10-15)16(18)12-6-8-14(17)9-7-12/h3-11,16,18H,17H2,1-2H3.
What are the key properties of (4-aminophenyl)-(3-propan-2-yloxyphenyl)methanol?
(4-aminophenyl)-(3-propan-2-yloxyphenyl)methanol has a molecular weight of 257.33 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminophenyl)-(3-propan-2-yloxyphenyl)methanol is sourced from PubChem (CID 106695525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).